5-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoyl chloride

• ChemBase ID: 56962
• Molecular Formular: C14H8Cl4O2
• Molecular Mass: 350.02412
• Monoisotopic Mass: 347.92784022
• SMILES: c1(cc(c(cc1)OCc1c(cccc1Cl)Cl)C(=O)Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)C(=O)Cl)OCc1c(Cl)cccc1Cl
• InChI: InChI=1S/C14H8Cl4O2/c15-8-4-5-13(9(6-8)14(18)19)20-7-10-11(16)2-1-3-12(10)17/h1-6H,7H2
• InChIKey: HUFBTJJLYGYDSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoyl chloride
• IUPAC Traditional name: 5-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoyl chloride
• Synonyms: 5-Chloro-2-[(2,6-dichlorobenzyl)oxy]-benzoyl chloride

Database IDs

• MDL Number: MFCD12198010
• PubChem SID: 162061725
• PubChem CID: 46779758

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.543094
• LogD (pH = 7.4): 5.543094
• Log P: 5.543094
• Molar Refractivity: 82.6629 cm^3
• Polarizability: 31.92075 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false