6-chloro-2,3-difluorophenyl acetate

• ChemBase ID: 810610
• Molecular Formular: C8H5ClF2O2
• Molecular Mass: 206.5739064
• Monoisotopic Mass: 205.99461352
• SMILES: CC(=O)Oc1c(c(ccc1Cl)F)F
• Canonical SMILES: CC(=O)Oc1c(Cl)ccc(c1F)F
• InChI: InChI=1S/C8H5ClF2O2/c1-4(12)13-8-5(9)2-3-6(10)7(8)11/h2-3H,1H3
• InChIKey: BTFCMALNLQQPKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2,3-difluorophenyl acetate
• IUPAC Traditional name: 6-chloro-2,3-difluorophenyl acetate
• Synonyms: 6-CHLORO-2,3-DIFLUOROBENZENE ACETIC ACID

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4699554
• LogD (pH = 7.4): 2.4699554
• Log P: 2.4699554
• Molar Refractivity: 42.428 cm^3
• Polarizability: 16.29472 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%