phenyl N-(4-chlorophenyl)carboximidate

• ChemBase ID: 112803
• Molecular Formular: C13H10ClNO
• Molecular Mass: 231.6776
• Monoisotopic Mass: 231.04509163
• SMILES: Clc1ccc(cc1)/N=C/Oc1ccccc1
• Canonical SMILES: Clc1ccc(cc1)/N=C/Oc1ccccc1
• InChI: InChI=1S/C13H10ClNO/c14-11-6-8-12(9-7-11)15-10-16-13-4-2-1-3-5-13/h1-10H
• InChIKey: HWYMDSMUBCIHKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl N-(4-chlorophenyl)carboximidate
• IUPAC Traditional name: phenyl N-(4-chlorophenyl)carboximidate
• Synonyms: p-ANISYLIDENE-p-CHLOROANILINE

Database IDs

• CAS Number: 3369-35-5
• PubChem SID: 162098256
• PubChem CID: 25021263

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.297609
• LogD (pH = 7.4): 4.297611
• Log P: 4.297611
• Molar Refractivity: 66.2503 cm^3
• Polarizability: 25.000748 Å^3
• Polar Surface Area: 21.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05225927

MP Biomedicals Rare Chemical collection