2-(benzyloxy)-5-chlorobenzoyl chloride

• ChemBase ID: 56952
• Molecular Formular: C14H10Cl2O2
• Molecular Mass: 281.134
• Monoisotopic Mass: 280.00578492
• SMILES: c1(cc(c(cc1)OCc1ccccc1)C(=O)Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)C(=O)Cl)OCc1ccccc1
• InChI: InChI=1S/C14H10Cl2O2/c15-11-6-7-13(12(8-11)14(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9H2
• InChIKey: BTGXDAJFTMOAQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-5-chlorobenzoyl chloride
• IUPAC Traditional name: 2-(benzyloxy)-5-chlorobenzoyl chloride
• Synonyms: 2-(Benzyloxy)-5-chlorobenzoyl chloride

Database IDs

• MDL Number: MFCD12198001
• PubChem SID: 162061715
• PubChem CID: 46779749

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.335005
• LogD (pH = 7.4): 4.335005
• Log P: 4.335005
• Molar Refractivity: 73.0533 cm^3
• Polarizability: 28.061003 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false