Basic information
- Standard SMILES
Cc1cc(-c2ccc([N+](=O)[O-])cc2)ccc1C(=O)CBr- InChIKey
XYDOQYMDGXHRLU-UHFFFAOYSA-N- Molecular formula
- C15H12BrNO3
- Average molar mass
- 334.16 g/mol
Names & identifiers
- Preferred name
- 2-Bromo-1-(3-methyl-4'-nitro-1,1'-biphenyl-4-yl)ethanone
- IUPAC
- 2-bromo-1-[2-methyl-4-(4-nitrophenyl)phenyl]ethanone
Names & synonyms
SCHEMBL1748173XYDOQYMDGXHRLU-UHFFFAOYSA-N2-bromo-1-(3-methyl-4'-nitro-1,1'-biphenyl-4-yl)ethanone
Database identifiers
- PubChem CID
- 21985688
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 361
Related reactions
9 records
Compound notes
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