857640-44-9
5-CHLORO-1-METHYL-3-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-4-METHANOL
Name5-CHLORO-1-METHYL-3-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-4-METHANOL
FormulaC12 H10 Cl F3 N2 O
1Identification
【Name】
5-CHLORO-1-METHYL-3-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-4-METHANOL
【CAS】
【MDL】
MFCD09752497
【English Synonyms】
【Formula】
C12 H10 Cl F3 N2 O
【MolWeight】
290.671
【Inchi】
InChI=1S/C12H10ClF3N2O/c1-18-11(13)9(6-19)10(17-18)7-3-2-4-8(5-7)12(14,15)16/h2-5,19H,6H2,1H3
【InChIKey】
InChIKey=PTFJRVRUDUFKEM-UHFFFAOYSA-N
【SMILES】
Cn1c(c(c(n1)c2cccc(c2)C(F)(F)F)CO)Cl
【MOL File】
5-CHLORO-1-METHYL-3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-CHLORO-1-METHYL-3-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-4-METHANOL.cml