4-chloro-N-(2-hydroxyphenyl)benzamide

• ChemBase ID: 297494
• Molecular Formular: C13H10ClNO2
• Molecular Mass: 247.677
• Monoisotopic Mass: 247.04000625
• SMILES: c1ccc(c(c1)NC(=O)c1ccc(cc1)Cl)O
• Canonical SMILES: Clc1ccc(cc1)C(=O)Nc1ccccc1O
• InChI: InChI=1S/C13H10ClNO2/c14-10-7-5-9(6-8-10)13(17)15-11-3-1-2-4-12(11)16/h1-8,16H,(H,15,17)
• InChIKey: DZZYJYQGLGAWEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-N-(2-hydroxyphenyl)benzamide
• IUPAC Traditional name: 4-chloro-N-(2-hydroxyphenyl)benzamide
• Synonyms: 4-Chloro-2'-hydroxybenzanilide; 4-Chloro-N-(2-hydroxyphenyl)benzamide; 4-氯-N-2-羟基苯甲酰胺

Database IDs

• CAS Number: 31913-75-4
• MDL Number: MFCD00020009
• PubChem SID: 180683025
• PubChem CID: 3239831

CALCULATED PROPERTIES

• Acid pKa: 8.767033
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.3653767
• LogD (pH = 7.4): 3.3474681
• Log P: 3.36561
• Molar Refractivity: 68.3772 cm^3
• Polarizability: 25.416176 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%