2-(cyclopropylmethoxy)-5-fluorobenzene-1-sulfonyl chloride

• ChemBase ID: 248288
• Molecular Formular: C10H10ClFO3S
• Molecular Mass: 264.7010032
• Monoisotopic Mass: 264.00232108
• SMILES: S(=O)(=O)(c1cc(ccc1OCC1CC1)F)Cl
• Canonical SMILES: Fc1ccc(c(c1)S(=O)(=O)Cl)OCC1CC1
• InChI: InChI=1S/C10H10ClFO3S/c11-16(13,14)10-5-8(12)3-4-9(10)15-6-7-1-2-7/h3-5,7H,1-2,6H2
• InChIKey: SQZLGUNNROQYQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopropylmethoxy)-5-fluorobenzene-1-sulfonyl chloride
• IUPAC Traditional name: 2-(cyclopropylmethoxy)-5-fluorobenzenesulfonyl chloride
• Synonyms: 2-(cyclopropylmethoxy)-5-fluorobenzene-1-sulfonyl chloride

Database IDs

• MDL Number: MFCD16681752
• PubChem SID: 164304198
• PubChem CID: 62103508

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6851568
• LogD (pH = 7.4): 2.6851568
• Log P: 2.6851568
• Molar Refractivity: 58.8738 cm^3
• Polarizability: 23.507355 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.345

Product Information

• Purity: 95%