Record Information |
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Version | 2.0 |
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Creation Date | 2012-05-31 14:28:52 -0600 |
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Update Date | 2015-06-03 17:19:22 -0600 |
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Secondary Accession Numbers | |
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Identification |
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Name: | Bromobenzene-3,4-oxide |
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Description | Bromobenzene-3,4-oxide is a member of the chemical class known as Organic Compounds. These are compounds containing at least one carbon atom. |
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Structure | |
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Synonyms: | - 3-Bromo-7-oxabicyclo(4.1.0)hepta-2,4-diene
- Bromobenzene 3,4-oxide
- Bromobenzene-3,4-epoxide
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Chemical Formula: | C6H5BrO |
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Weight: | Average: 173.007 Monoisotopic: 171.952377429 |
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InChI Key: | FVTNDWDQRAAPCD-UHFFFAOYSA-N |
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InChI: | InChI=1S/C6H5BrO/c7-4-1-2-5-6(3-4)8-5/h1-3,5-6H |
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CAS number: | 51981-75-0 |
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IUPAC Name: | 3-bromo-7-oxabicyclo[4.1.0]hepta-2,4-diene |
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Traditional IUPAC Name: | bromobenzene 3,4-oxide |
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SMILES: | BrC1=CC2OC2C=C1 |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as epoxides. Epoxides are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms). |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Epoxides |
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Sub Class | Not Available |
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Direct Parent | Epoxides |
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Alternative Parents | |
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Substituents | - Oxacycle
- Bromoalkene
- Haloalkene
- Vinyl halide
- Vinyl bromide
- Ether
- Oxirane
- Dialkyl ether
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organobromide
- Organohalogen compound
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic heteropolycyclic compounds |
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External Descriptors | |
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Physical Properties |
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State: | Not Available |
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Charge: | 0 |
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Melting point: | Not Available |
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Experimental Properties: | |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations: | Cytoplasm |
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Reactions: | |
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SMPDB Pathways: | |
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KEGG Pathways: | Not Available |
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EcoCyc Pathways: | Not Available |
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Concentrations |
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| Not Available |
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Spectra |
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Spectra: | |
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References |
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References: | - Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
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Synthesis Reference: | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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Links |
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External Links: | |
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