4-chloro-3-ethoxybenzene-1-sulfonyl chloride

• ChemBase ID: 309293
• Molecular Formular: C8H8Cl2O3S
• Molecular Mass: 255.11832
• Monoisotopic Mass: 253.95712048
• SMILES: S(=O)(=O)(c1cc(c(cc1)Cl)OCC)Cl
• Canonical SMILES: CCOc1cc(ccc1Cl)S(=O)(=O)Cl
• InChI: InChI=1S/C8H8Cl2O3S/c1-2-13-8-5-6(14(10,11)12)3-4-7(8)9/h3-5H,2H2,1H3
• InChIKey: FIEXEHVMPPXZAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-3-ethoxybenzene-1-sulfonyl chloride
• IUPAC Traditional name: 4-chloro-3-ethoxybenzenesulfonyl chloride
• Synonyms: 4-chloro-3-ethoxybenzenesulfonyl chloride

Database IDs

• CAS Number: 1202571-18-3
• MDL Number: MFCD12402638

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7227302
• LogD (pH = 7.4): 2.7227302
• Log P: 2.7227302
• Molar Refractivity: 56.2688 cm^3
• Polarizability: 22.75647 Å^3
• Polar Surface Area: 43.37 Å^2