Chemical Properties of ISOXAFLUTOLE (CAS 141112-29-0)

ISOXAFLUTOLE

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InChI
InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3
InChI Key
OYIKARCXOQLFHF-UHFFFAOYSA-N
Formula
C15H12F3NO4S
SMILES
CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1
Molecular Weight1
359.32
CAS
141112-29-0
Other Names
  • (5-Cyclopropylisoxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone
  • Methanone, (5-cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]-
  • (5-cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone
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Physical Properties

Property Value Unit Source
log10WS -8.81 Crippen Calculated Property
logPoct/wat 3.205 Crippen Calculated Property
McVol 218.950 ml/mol McGowan Calculated Property
Inp 2283.00 NIST

Similar Compounds

Benazepril Me. Hydrastine. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. cis-1,2-Tetralinediol, ferrocenylboronate. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. 5,6-Dihydrouracil riboside, TMS. Noscapine. N-Desmethylmirtazapine. Butorphanol di-TMS derivative. 3'-benzoylindicine. Morphinan-3,6-«alpha»-diol, 7,8-didehydro-4,5-«alpha»-epoxy-17-methyl-, acetate. 3-propionyl-morphine. Brucine. TCN. QUINIDINE, M(HO-), AC.

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Sources

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