2-Acetamido-5-chlorobenzoic acid
Basic information
- CAS
5202-87-9- Standard SMILES
CC(=O)Nc1ccc(Cl)cc1C(=O)O- InChIKey
MFQIGFQXUBKVSJ-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO3
- Average molar mass
- 213.62 g/mol
- Monoisotopic mass
- 213.0192708
Names & identifiers
- Preferred name
- 2-Acetamido-5-chlorobenzoic acid
- IUPAC
- 2-acetamido-5-chlorobenzoic acid
- English name
- Benzoic acid, 2-(acetylamino)-5-chloro-
- Molecular formula
- C9H8ClNO3
- Molecular weight
- 213.62
Names & synonyms
2-acetamido-5-chlorobenzoic acid5202-87-92-(Acetylamino)-5-chlorobenzoic acidMFCD002771302-Acetylamino-5-chloro-benzoic acidBenzoic acid, 2-(acetylamino)-5-chloro-5-chloro-2-acetamidobenzoic acidNSC404334TimTec1_005950MLS000043767SCHEMBL70450362-acetamido-5-chlorobenzoicacid
Show more names
NSC 404334N-Acetyl-5-chloroanthranilic acid
CHEMBL1452188DTXSID50323574MFQIGFQXUBKVSJ-UHFFFAOYSA-N2-acetamido-5-chloro-benzoic acidHMS1550O10HMS2274L08STK662548AKOS000131533
Database identifiers
- CAS
5202-87-9- PubChem CID
- 346199
- DTXSID
DTXSID50323574- ChEMBL
CHEMBL1452188- Nikkaji
- J1.571.139F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 203 · 203-205℃
- Density
- 1.453 · 1.453
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Compound notes
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