3-chloro-N-(2,3-dichlorophenyl)benzamide

• ChemBase ID: 300004
• Molecular Formular: C13H8Cl3NO
• Molecular Mass: 300.56772
• Monoisotopic Mass: 298.96714692
• SMILES: c1cc(cc(c1)Cl)C(=O)Nc1cccc(c1Cl)Cl
• Canonical SMILES: Clc1cccc(c1)C(=O)Nc1cccc(c1Cl)Cl
• InChI: InChI=1S/C13H8Cl3NO/c14-9-4-1-3-8(7-9)13(18)17-11-6-2-5-10(15)12(11)16/h1-7H,(H,17,18)
• InChIKey: CNNCAQYCCDJBGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N-(2,3-dichlorophenyl)benzamide
• IUPAC Traditional name: 3-chloro-N-(2,3-dichlorophenyl)benzamide
• Synonyms: 3-Chloro-N-(2,3-dichlorophenyl)benzamide

Database IDs

• CAS Number: 90665-35-3
• MDL Number: MFCD01213988

CALCULATED PROPERTIES

• Acid pKa: 12.215672
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.8772645
• LogD (pH = 7.4): 4.8772583
• Log P: 4.8772645
• Molar Refractivity: 76.0059 cm^3
• Polarizability: 28.633827 Å^3
• Polar Surface Area: 29.1 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-P501

Product Information

• Purity: 97%