2-chloro-4,5-difluorobenzoyl chloride

• ChemBase ID: 94936
• Molecular Formular: C7H2Cl2F2O
• Molecular Mass: 210.9929864
• Monoisotopic Mass: 209.94507648
• SMILES: ClC(=O)c1c(cc(c(c1)F)F)Cl
• Canonical SMILES: ClC(=O)c1cc(F)c(cc1Cl)F
• InChI: InChI=1S/C7H2Cl2F2O/c8-4-2-6(11)5(10)1-3(4)7(9)12/h1-2H
• InChIKey: WVGSPMZLNNRZRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4,5-difluorobenzoyl chloride
• IUPAC Traditional name: 2-chloro-4,5-difluorobenzoyl chloride
• Synonyms: 2-Chloro-4,5-difluorobenzoyl chloride 98%

Database IDs

• CAS Number: 121872-95-5
• MDL Number: MFCD04972708
• PubChem SID: 162081590
• PubChem CID: 10198217

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.053607
• LogD (pH = 7.4): 3.053607
• Log P: 3.053607
• Molar Refractivity: 42.4103 cm^3
• Polarizability: 15.700418 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive