4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride

• ChemBase ID: 309347
• Molecular Formular: C11H13ClO3S
• Molecular Mass: 260.73712
• Monoisotopic Mass: 260.02739296
• SMILES: S(=O)(=O)(c1c2c(c(cc1)OC)CCCC2)Cl
• Canonical SMILES: COc1ccc(c2c1CCCC2)S(=O)(=O)Cl
• InChI: InChI=1S/C11H13ClO3S/c1-15-10-6-7-11(16(12,13)14)9-5-3-2-4-8(9)10/h6-7H,2-5H2,1H3
• InChIKey: QPLHMLFUSKCACK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride
• IUPAC Traditional name: 4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride
• Synonyms: 4-methoxy-5,6,7,8-tetrahydro-1-naphthalenesulfonyl chloride

Database IDs

• CAS Number: 1211487-94-3
• MDL Number: MFCD14702901

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2141318
• LogD (pH = 7.4): 3.2141318
• Log P: 3.2141318
• Molar Refractivity: 64.1976 cm^3
• Polarizability: 25.405428 Å^3
• Polar Surface Area: 43.37 Å^2