methyl 1-[4-(chlorosulfonyl)phenyl]cyclopropane-1-carboxylate

• ChemBase ID: 246676
• Molecular Formular: C11H11ClO4S
• Molecular Mass: 274.72064
• Monoisotopic Mass: 274.00665751
• SMILES: S(=O)(=O)(c1ccc(C2(CC2)C(=O)OC)cc1)Cl
• Canonical SMILES: COC(=O)C1(CC1)c1ccc(cc1)S(=O)(=O)Cl
• InChI: InChI=1S/C11H11ClO4S/c1-16-10(13)11(6-7-11)8-2-4-9(5-3-8)17(12,14)15/h2-5H,6-7H2,1H3
• InChIKey: ZQDRVUUGONDOGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-[4-(chlorosulfonyl)phenyl]cyclopropane-1-carboxylate
• IUPAC Traditional name: methyl 1-[4-(chlorosulfonyl)phenyl]cyclopropane-1-carboxylate
• Synonyms: methyl 1-[4-(chlorosulfonyl)phenyl]cyclopropane-1-carboxylate

Database IDs

• PubChem SID: 164302586
• PubChem CID: 23112079

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.338466
• LogD (pH = 7.4): 2.338466
• Log P: 2.338466
• Molar Refractivity: 63.6022 cm^3
• Polarizability: 25.696417 Å^3
• Polar Surface Area: 60.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.192

Product Information

• Purity: 95%