Basic information
- CAS
262450-66-8- Standard SMILES
COc1cc(Br)cc(C=C[N+](=O)[O-])c1- InChIKey
ARTOMMCJVZYZPP-UHFFFAOYSA-N- Molecular formula
- C9H8BrNO3
- Average molar mass
- 258.07 g/mol
- Monoisotopic mass
- 256.96876
Names & identifiers
- Preferred name
- 1-Bromo-3-methoxy-5-(2-nitrovinyl)benzene
- IUPAC
- 1-bromo-3-methoxy-5-(2-nitroethenyl)benzene
Names & synonyms
DTXSID4012644291-Bromo-3-methoxy-5-(2-nitrovinyl)benzene
Database identifiers
- CAS
262450-66-8- PubChem CID
- 85158331
- DTXSID
DTXSID401264429
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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