Basic information
- CAS
57544-22-6- Standard SMILES
COc1cc(Br)cc2c1OC(c1ccc(Cl)cc1)C([N+](=O)[O-])=C2- InChIKey
BXDMTVKECKJHAQ-UHFFFAOYSA-N- Molecular formula
- C16H11BrClNO4
- Average molar mass
- 396.62 g/mol
- Monoisotopic mass
- 394.956
Names & identifiers
- Preferred name
- 6-Bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran
- IUPAC
- 6-bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-chromene
- English name
- 6-Bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran
- Molecular formula
- C16H11BrClNO4
- Molecular weight
- 396.62
Names & synonyms
6-Bromo-2-(4-chlorophenyl)-8-methoxy-3-nitro-2H-1-benzopyran57544-22-6BRN 13988092H-1-BENZOPYRAN, 6-BROMO-2-(4-CHLOROPHENYL)-8-METHOXY-3-NITRO-SCHEMBL16592476DTXSID50973119DB-317987
Database identifiers
- CAS
57544-22-6- PubChem CID
- 42462
- DTXSID
DTXSID50973119- Nikkaji
- J132.053J
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 475
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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