CID 898438
Basic information
- CAS
40276-12-8- Standard SMILES
COc1ccc(Cl)cc1C=C[N+](=O)[O-]- InChIKey
BYGULCFTNGPRRD-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO3
- Average molar mass
- 213.62 g/mol
- Monoisotopic mass
- 213.0192708
Names & identifiers
- Preferred name
- CID 898438
- IUPAC
- 4-chloro-1-methoxy-2-(2-nitroethenyl)benzene
Names & synonyms
DTXSID901259330
Database identifiers
- CAS
40276-12-8- PubChem CID
- 898438
- DTXSID
DTXSID901259330
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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