Basic information
- CAS
57544-18-0- Standard SMILES
O=[N+]([O-])C1=Cc2cc(Br)ccc2OC1c1ccc(Cl)cc1- InChIKey
AXBUMWJREQIWBE-UHFFFAOYSA-N- Molecular formula
- C15H9BrClNO3
- Average molar mass
- 366.59 g/mol
- Monoisotopic mass
- 364.94543
Names & identifiers
- Preferred name
- 2H-1-Benzopyran, 6-bromo-2-(4-chlorophenyl)-3-nitro-
- IUPAC
- 6-bromo-2-(4-chlorophenyl)-3-nitro-2H-chromene
- English name
- 6-Bromo-2-(4-chlorophenyl)-3-nitro-2H-1-benzopyran
- Molecular formula
- C15H9BrClNO3
- Molecular weight
- 366.59
Names & synonyms
6-Bromo-2-(4-chlorophenyl)-3-nitro-2H-1-benzopyranBRN 13921392H-1-BENZOPYRAN, 6-BROMO-2-(4-CHLOROPHENYL)-3-NITRO-DTXSID70973116RefChem:268112DTXCID70140057357544-18-0SCHEMBL16592618DB-317986
Database identifiers
- CAS
57544-18-0- PubChem CID
- 42459
- DTXSID
DTXSID70973116- Nikkaji
- J132.054H
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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