2,3,5-trifluorobenzoyl chloride

• ChemBase ID: 8173
• Molecular Formular: C7H2ClF3O
• Molecular Mass: 194.5383896
• Monoisotopic Mass: 193.97462702
• SMILES: c1(cc(c(c(c1)C(=O)Cl)F)F)F
• Canonical SMILES: Fc1cc(F)c(c(c1)C(=O)Cl)F
• InChI: InChI=1S/C7H2ClF3O/c8-7(12)4-1-3(9)2-5(10)6(4)11/h1-2H
• InChIKey: QTIPHWWHHRFTNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5-trifluorobenzoyl chloride
• IUPAC Traditional name: 2,3,5-trifluorobenzoyl chloride
• Synonyms: 2,3,5-Trifluorobenzoyl chloride; 2,3,5-Trifluorobenzoyl chloride 98%

Database IDs

• CAS Number: 240800-48-0
• MDL Number: MFCD00083541
• PubChem SID: 160971480
• PubChem CID: 2777017

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5922642
• LogD (pH = 7.4): 2.5922642
• Log P: 2.5922642
• Molar Refractivity: 37.8219 cm^3
• Polarizability: 13.601383 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Lachrymatory; LACHRYMATOR, CORROSIVE
• TSCA Listed: false