1-Bromo-3-methyl-5-nitro-2-vinylbenzene
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Basic information
- CAS
1403666-48-7- Standard SMILES
C=Cc1c(C)cc([N+](=O)[O-])cc1Br- InChIKey
AFUKAQOEUJDVRB-UHFFFAOYSA-N- Molecular formula
- C9H8BrNO2
- Average molar mass
- 242.07 g/mol
- Monoisotopic mass
- 240.9738406
Names & identifiers
- Preferred name
- 1-Bromo-3-methyl-5-nitro-2-vinylbenzene
- IUPAC
- 1-bromo-2-ethenyl-3-methyl-5-nitrobenzene
Names & synonyms
1-Bromo-3-methyl-5-nitro-2-vinylbenzene1403666-48-7SCHEMBL13735204AFUKAQOEUJDVRB-UHFFFAOYSA-NDTXSID5012701401-bromo-2-ethenyl-3-methyl-5-nitrobenzeneDB-311943
Database identifiers
- CAS
1403666-48-7- PubChem CID
- 86699786
- DTXSID
DTXSID501270140
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
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Related reactions
6 records
Compound notes
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