Basic information
- Standard SMILES
COC(=O)c1cc(N)ccc1-c1ccccc1Br- InChIKey
PGKTXMBMJDKBQU-UHFFFAOYSA-N- Molecular formula
- C14H12BrNO2
- Average molar mass
- 306.15 g/mol
- Monoisotopic mass
- 305.00514
Names & identifiers
- Preferred name
- Methyl 4-amino-2'-bromo-2-biphenylcarboxylate
- IUPAC
- methyl 5-amino-2-(2-bromophenyl)benzoate
Names & synonyms
SCHEMBL5099640PGKTXMBMJDKBQU-UHFFFAOYSA-Nmethyl 4-amino-2'-bromo-2-biphenylcarboxylate
Database identifiers
- PubChem CID
- 58730987
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
Related reactions
4 records
Compound notes
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