Hippuric acid, 3,4-dichloro-alpha-phenoxy-
Basic information
- CAS
15643-65-9- Standard SMILES
O=C(NC(Oc1ccccc1)C(=O)O)c1ccc(Cl)c(Cl)c1- InChIKey
WZRFGHOJQHRASM-UHFFFAOYSA-N- Molecular formula
- C15H11Cl2NO4
- Average molar mass
- 340.2 g/mol
- Monoisotopic mass
- 339.0065132
Names & identifiers
- Preferred name
- Hippuric acid, 3,4-dichloro-alpha-phenoxy-
- IUPAC
- 2-[(3,4-dichlorobenzoyl)amino]-2-phenoxyacetic acid
Names & synonyms
15643-65-9Hippuric acid, 3,4-dichloro-alpha-phenoxy-DTXSID60935445Acetic acid, ((3,4-dichlorobenzoyl)amino)phenoxy-{[(3,4-Dichlorophenyl)(hydroxy)methylidene]amino}(phenoxy)acetic acid
Database identifiers
- CAS
15643-65-9- PubChem CID
- 152116
- DTXSID
DTXSID60935445- Nikkaji
- J3.017.922F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
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Compound notes
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