2-[N-(5-chloro-2-methylphenyl)carboximidoyl]phenol

• ChemBase ID: 112406
• Molecular Formular: C14H12ClNO
• Molecular Mass: 245.70418
• Monoisotopic Mass: 245.06074169
• SMILES: Cc1ccc(Cl)cc1/N=C/c1ccccc1O
• Canonical SMILES: Clc1ccc(c(c1)/N=C/c1ccccc1O)C
• InChI: InChI=1S/C14H12ClNO/c1-10-6-7-12(15)8-13(10)16-9-11-4-2-3-5-14(11)17/h2-9,17H,1H3
• InChIKey: XIMATYDWNQNCNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[N-(5-chloro-2-methylphenyl)carboximidoyl]phenol
• IUPAC Traditional name: 2-[N-(5-chloro-2-methylphenyl)carboximidoyl]phenol
• Synonyms: SALICYLIDENE-(2-METHYL-5-CHLOROANIL)

Database IDs

• CAS Number: 92231-41-9
• PubChem SID: 162097243
• PubChem CID: 5324436

CALCULATED PROPERTIES

• Acid pKa: 8.83281
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.6611204
• LogD (pH = 7.4): 4.645767
• Log P: 4.6614075
• Molar Refractivity: 73.2145 cm^3
• Polarizability: 26.690592 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05223773

MP Biomedicals Rare Chemical collection