75013-45-5
4-(2-(3-METHYL-5-(1,1,2,2-TETRAFLUOROETHYL)-1-PYRAZOLYL)-4-THIAZOLYL)PYROCATECHOL
Name4-(2-(3-METHYL-5-(1,1,2,2-TETRAFLUOROETHYL)-1-PYRAZOLYL)-4-THIAZOLYL)PYROCATECHOL
FormulaC15 H11 F4 N3 O2 S
1Identification
【Name】
4-(2-(3-METHYL-5-(1,1,2,2-TETRAFLUOROETHYL)-1-PYRAZOLYL)-4-THIAZOLYL)PYROCATECHOL
【CAS】
【MDL】
MFCD00372835
【English Synonyms】
【Formula】
C15 H11 F4 N3 O2 S
【MolWeight】
373.329
【Inchi】
InChI=1S/C15H11F4N3O2S/c1-7-4-12(15(18,19)13(16)17)22(21-7)14-20-9(6-25-14)8-2-3-10(23)11(24)5-8/h2-6,13,23-24H,1H3
【InChIKey】
InChIKey=CLPJVKREOPCTFK-UHFFFAOYSA-N
【SMILES】
Cc1cc(n(n1)c2nc(cs2)c3ccc(c(c3)O)O)C(C(F)F)(F)F
【MOL File】
4-(2-(3-METHYL-5-(1,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(3-METHYL-5-(1,1,2,2-TETRAFLUOROETHYL)-1-PYRAZOLYL)-4-THIAZOLYL)PYROCATECHOL.cml