2-methoxy-5-(1,2-oxazol-5-yl)benzene-1-sulfonyl chloride

• ChemBase ID: 309560
• Molecular Formular: C10H8ClNO4S
• Molecular Mass: 273.69282
• Monoisotopic Mass: 272.98625642
• SMILES: S(=O)(=O)(c1cc(c2oncc2)ccc1OC)Cl
• Canonical SMILES: COc1ccc(cc1S(=O)(=O)Cl)c1ccno1
• InChI: InChI=1S/C10H8ClNO4S/c1-15-9-3-2-7(8-4-5-12-16-8)6-10(9)17(11,13)14/h2-6H,1H3
• InChIKey: PPVDVJWXLYNXHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-(1,2-oxazol-5-yl)benzene-1-sulfonyl chloride
• IUPAC Traditional name: 2-methoxy-5-(1,2-oxazol-5-yl)benzenesulfonyl chloride
• Synonyms: 5-(5-isoxazolyl)-2-methoxybenzenesulfonyl chloride

Database IDs

• MDL Number: MFCD15729897

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.693647
• LogD (pH = 7.4): 1.6936494
• Log P: 1.6936494
• Molar Refractivity: 63.1711 cm^3
• Polarizability: 25.878426 Å^3
• Polar Surface Area: 69.4 Å^2