4-(4-chlorophenoxymethyl)benzohydrazide

• ChemBase ID: 230572
• Molecular Formular: C14H13ClN2O2
• Molecular Mass: 276.71822
• Monoisotopic Mass: 276.06655535
• SMILES: C(=O)(c1ccc(COc2ccc(Cl)cc2)cc1)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1)COc1ccc(cc1)Cl
• InChI: InChI=1S/C14H13ClN2O2/c15-12-5-7-13(8-6-12)19-9-10-1-3-11(4-2-10)14(18)17-16/h1-8H,9,16H2,(H,17,18)
• InChIKey: LQJFLGKXJRWHKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-chlorophenoxymethyl)benzohydrazide
• IUPAC Traditional name: 4-(4-chlorophenoxymethyl)benzohydrazide
• Synonyms: 4-(4-Chloro-phenoxymethyl)-benzoic acid hydrazide

Database IDs

• MDL Number: MFCD03965242
• PubChem SID: 164286482
• PubChem CID: 2060452

CALCULATED PROPERTIES

• Acid pKa: 14.34836
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.6973698
• LogD (pH = 7.4): 2.6982458
• Log P: 2.698257
• Molar Refractivity: 75.5011 cm^3
• Polarizability: 28.557627 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.805

Product Information

• Purity: 95%