Basic information
- Standard SMILES
O=C(O)CCNc1cccc(Cl)c1- InChIKey
YHXKNYLHVMSFKC-UHFFFAOYSA-N- Molecular formula
- C9H10ClNO2
- Average molar mass
- 199.63 g/mol
Names & identifiers
- Preferred name
- 3-((3-Chlorophenyl)amino)propanoic acid
- IUPAC
- 3-(3-chloroanilino)propanoic acid
Names & synonyms
3-((3-Chlorophenyl)amino)propanoic acid21617-14-13-(3-chloroanilino)propanoic acid3-[(3-CHLOROPHENYL)AMINO]PROPANOIC ACID3-m-chloroanilinopropionic acidSCHEMBL95251993-(m-chloroanilino)propionic acidYHXKNYLHVMSFKC-UHFFFAOYSA-N3-(m-chloro-anilino)propionic acid3-(m-chloroanilino)-propionic acidMFCD09755094AKOS000298386
Show more names
G70850
Database identifiers
- PubChem CID
- 12470919
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
Related reactions
5 records
Compound notes
Loading…