5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonyl chloride

• ChemBase ID: 309531
• Molecular Formular: C8H3ClF3NO4S
• Molecular Mass: 301.6269296
• Monoisotopic Mass: 300.94234092
• SMILES: S(=O)(=O)(c1oc(c2cc(C(F)(F)F)on2)cc1)Cl
• Canonical SMILES: FC(c1onc(c1)c1ccc(o1)S(=O)(=O)Cl)(F)F
• InChI: InChI=1S/C8H3ClF3NO4S/c9-18(14,15)7-2-1-5(16-7)4-3-6(17-13-4)8(10,11)12/h1-3H
• InChIKey: FLOIXWJQIHZCRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonyl chloride
• IUPAC Traditional name: 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonyl chloride
• Synonyms: 5-[5-(trifluoromethyl)-3-isoxazolyl]-2-furansulfonyl chloride

Database IDs

• MDL Number: MFCD15729934

CALCULATED PROPERTIES

• Molar Refractivity: 53.9538 cm^3
• Polarizability: 21.85817 Å^3
• Polar Surface Area: 73.31 Å^2
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2645571
• LogD (pH = 7.4): 2.2645571
• Log P: 2.2645571