Basic information
- CAS
57544-12-4- Standard SMILES
COc1ccc2c(c1)C=C([N+](=O)[O-])C(c1ccccc1Cl)O2- InChIKey
VPJVBBAMWDOBIZ-UHFFFAOYSA-N- Molecular formula
- C16H12ClNO4
- Average molar mass
- 317.72 g/mol
- Monoisotopic mass
- 317.0454856
Names & identifiers
- Preferred name
- 2-(2-Chlorophenyl)-6-methoxy-3-nitro-2H-1-benzopyran
- IUPAC
- 2-(2-chlorophenyl)-6-methoxy-3-nitro-2H-chromene
- English name
- 2-(2-Chlorophenyl)-6-methoxy-3-nitro-2H-1-benzopyran
- Molecular formula
- C16H12ClNO4
- Molecular weight
- 317.72
Names & synonyms
2-(2-Chlorophenyl)-6-methoxy-3-nitro-2H-1-benzopyranBRN 14363252H-1-BENZOPYRAN, 2-(2-CHLOROPHENYL)-6-METHOXY-3-NITRO-DTXSID109731155-17-04-00590 (Beilstein Handbook Reference)RefChem:250612DTXCID00140057257544-12-4DB-301701
Database identifiers
- CAS
57544-12-4- PubChem CID
- 42458
- DTXSID
DTXSID10973115- Nikkaji
- J87.894D
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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