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

• ChemBase ID: 251168
• Molecular Formular: C13H10ClNO2
• Molecular Mass: 247.677
• Monoisotopic Mass: 247.04000625
• SMILES: C(=O)(c1c(Cl)cccc1)Nc1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)NC(=O)c1ccccc1Cl
• InChI: InChI=1S/C13H10ClNO2/c14-12-4-2-1-3-11(12)13(17)15-9-5-7-10(16)8-6-9/h1-8,16H,(H,15,17)
• InChIKey: OLWMCHGHFRPBTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 35607-02-4
• MDL Number: MFCD00020144
• PubChem SID: 164307078
• PubChem CID: 587567

CALCULATED PROPERTIES

• Acid pKa: 9.436735
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.36556
• LogD (pH = 7.4): 3.361661
• Log P: 3.36561
• Molar Refractivity: 68.3772 cm^3
• Polarizability: 25.427769 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.068

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: 95%; 97%