1135508-17-6
4-ETHYNYL-1-(2-((3,3,3-TRIFLUOROPROPYL)SULFONYL)PROPYL)-1H-PYRAZOLE
Name4-ETHYNYL-1-(2-((3,3,3-TRIFLUOROPROPYL)SULFONYL)PROPYL)-1H-PYRAZOLE
FormulaC11 H13 F3 N2 O2 S
1Identification
【Name】
4-ETHYNYL-1-(2-((3,3,3-TRIFLUOROPROPYL)SULFONYL)PROPYL)-1H-PYRAZOLE
【CAS】
【MDL】
MFCD20226915
【English Synonyms】
【Formula】
C11 H13 F3 N2 O2 S
【MolWeight】
294.296
【Inchi】
InChI=1S/C11H13F3N2O2S/c1-3-10-6-15-16(8-10)7-9(2)19(17,18)5-4-11(12,13)14/h1,6,8-9H,4-5,7H2,2H3
【InChIKey】
InChIKey=XUHBZPDWTYSENF-UHFFFAOYSA-N
【SMILES】
CC(Cn1cc(cn1)C#C)S(=O)(=O)CCC(F)(F)F
【MOL File】
4-ETHYNYL-1-(2-((3,3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-ETHYNYL-1-(2-((3,3,3-TRIFLUOROPROPYL)SULFONYL)PROPYL)-1H-PYRAZOLE.cml