2-acetamido-3-(2-chlorophenyl)propanoic Acid

HCID 3772097

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Basic information

CAS: 6955-12-0
Standard SMILES: CC(=O)NC(Cc1ccccc1Cl)C(=O)O
InChIKey: APIXYVOMEYZAAM-UHFFFAOYSA-N
Molecular formula: C11H12ClNO3
Average molar mass: 241.67 g/mol
Monoisotopic mass: 241.0505709

Names & identifiers

Preferred name: 2-acetamido-3-(2-chlorophenyl)propanoic Acid
IUPAC: 2-acetamido-3-(2-chlorophenyl)propanoic acid

Names & synonyms

2-acetamido-3-(2-chlorophenyl)propanoic Acid6955-12-03-(2-CHLOROPHENYL)-2-ACETAMIDOPROPANOIC ACIDstarbld0038731SCHEMBL2152925NSC20156NSC-20156AKOS005349979CS-0344253E83536EN300-1217950F2147-6558

Database identifiers

CAS: 6955-12-0
PubChem CID: 3772097

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 270

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