Basic information
- CAS
57544-19-1- Standard SMILES
COc1cccc2c1OC(c1ccc(Cl)cc1)C([N+](=O)[O-])=C2- InChIKey
QPWTVCSDBXVHHT-UHFFFAOYSA-N- Molecular formula
- C16H12ClNO4
- Average molar mass
- 317.72 g/mol
- Monoisotopic mass
- 317.0454856
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran
- IUPAC
- 2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-chromene
Names & synonyms
2-(4-Chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran57544-19-1NSC6672242-(4-chlorophenyl)-8-methoxy-3-nitro-2H-chromeneBRN 13947822H-1-BENZOPYRAN, 2-(4-CHLOROPHENYL)-8-METHOXY-3-NITRO-CHEMBL2005842DTXSID30973117NSC-667224NCI60_023398(2-(4-Chlorophenyl)-8-methoxy-2H-chromen-3-yl)(hydroxy)azane oxide
Database identifiers
- CAS
57544-19-1- PubChem CID
- 42460
- DTXSID
DTXSID30973117- ChEMBL
CHEMBL2005842- Nikkaji
- J87.896K
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
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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