2-[N-(4-bromophenyl)carboximidoyl]phenol

• ChemBase ID: 112408
• Molecular Formular: C13H10BrNO
• Molecular Mass: 276.1286
• Monoisotopic Mass: 274.99457595
• SMILES: Oc1ccccc1/C=N/c1ccc(Br)cc1
• Canonical SMILES: Brc1ccc(cc1)/N=C/c1ccccc1O
• InChI: InChI=1S/C13H10BrNO/c14-11-5-7-12(8-6-11)15-9-10-3-1-2-4-13(10)16/h1-9,16H
• InChIKey: VWAMOQWOPYDCQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[N-(4-bromophenyl)carboximidoyl]phenol
• IUPAC Traditional name: 2-[N-(4-bromophenyl)carboximidoyl]phenol
• Synonyms: SALICYLIDENE-(p-BROMOANIL)

Database IDs

• CAS Number: 886-34-0
• PubChem SID: 162097244
• PubChem CID: 5359519

CALCULATED PROPERTIES

• Acid pKa: 8.833314
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.312385
• LogD (pH = 7.4): 4.2970715
• Log P: 4.312694
• Molar Refractivity: 70.9913 cm^3
• Polarizability: 25.778025 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05223777

MP Biomedicals Rare Chemical collection