2,3-difluorobenzene-1-sulfonyl chloride

• ChemBase ID: 267635
• Molecular Formular: C6H3ClF2O2S
• Molecular Mass: 212.6016264
• Monoisotopic Mass: 211.95103446
• SMILES: S(=O)(=O)(c1c(c(F)ccc1)F)Cl
• Canonical SMILES: Fc1cccc(c1F)S(=O)(=O)Cl
• InChI: InChI=1S/C6H3ClF2O2S/c7-12(10,11)5-3-1-2-4(8)6(5)9/h1-3H
• InChIKey: VHCVYGNNCGAWBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-difluorobenzene-1-sulfonyl chloride
• IUPAC Traditional name: 2,3-difluorobenzenesulfonyl chloride
• Synonyms: 2,3-difluorobenzene-1-sulfonyl chloride

Database IDs

• CAS Number: 210532-24-4
• MDL Number: MFCD12785666
• PubChem SID: 164323545
• PubChem CID: 21869065

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2049527
• LogD (pH = 7.4): 2.2049527
• Log P: 2.2049527
• Molar Refractivity: 40.685 cm^3
• Polarizability: 16.082516 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.386

Product Information

• Purity: 95%; 98%