Basic information
- Standard SMILES
Nc1cc(C(=O)CCC(=O)O)ccc1Cl- InChIKey
FBHOAUWTTGSIAC-UHFFFAOYSA-N- Molecular formula
- C10H10ClNO3
- Average molar mass
- 227.64 g/mol
Names & identifiers
- Preferred name
- 3-(3-Amino-4-chlorobenzoyl)propionic acid
- IUPAC
- 4-(3-amino-4-chlorophenyl)-4-oxobutanoic acid
Names & synonyms
SCHEMBL2875993FBHOAUWTTGSIAC-UHFFFAOYSA-N3-(3-amino-4-chlorobenzoyl)propionic acid4-(3-amino-4-chlorophenyl)-4-oxobutyric acid4-(3-amino-4-chloro-phenyl)-4-oxo-butyric acid
Database identifiers
- PubChem CID
- 14256802
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 257
Related reactions
4 records
Compound notes
Loading…