5-fluoro-2-(2-methoxyethoxy)benzene-1-sulfonyl chloride

• ChemBase ID: 248241
• Molecular Formular: C9H10ClFO4S
• Molecular Mass: 268.6897032
• Monoisotopic Mass: 267.9972357
• SMILES: S(=O)(=O)(c1cc(ccc1OCCOC)F)Cl
• Canonical SMILES: COCCOc1ccc(cc1S(=O)(=O)Cl)F
• InChI: InChI=1S/C9H10ClFO4S/c1-14-4-5-15-8-3-2-7(11)6-9(8)16(10,12)13/h2-3,6H,4-5H2,1H3
• InChIKey: MNSVCVSKLPJOSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-(2-methoxyethoxy)benzene-1-sulfonyl chloride
• IUPAC Traditional name: 5-fluoro-2-(2-methoxyethoxy)benzenesulfonyl chloride
• Synonyms: 5-fluoro-2-(2-methoxyethoxy)benzene-1-sulfonyl chloride

Database IDs

• MDL Number: MFCD16681750
• PubChem SID: 164304151
• PubChem CID: 44220951

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.857604
• LogD (pH = 7.4): 1.857604
• Log P: 1.857604
• Molar Refractivity: 57.9753 cm^3
• Polarizability: 23.160032 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.262

Product Information

• Purity: 95%