941716-87-6
5-[2-(BROMOMETHYL)PHENYL]-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE
Name5-[2-(BROMOMETHYL)PHENYL]-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE
pro_formulaC12 H10 Br F3 N2
1Identification
【Name】
5-[2-(BROMOMETHYL)PHENYL]-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE
【CAS】
【MDL】
MFCD09879928
【EnglishSynonyms】
【pro_formula】
C12 H10 Br F3 N2
【pro_molWeight】
319.123
【Inchi】
InChI=1S/C12H10BrF3N2/c1-18-10(6-11(17-18)12(14,15)16)9-5-3-2-4-8(9)7-13/h2-6H,7H2,1H3
【InChIKey】
InChIKey=CXKSXAITNFSMJE-UHFFFAOYSA-N
【SMILES】
Cn1c(cc(n1)C(F)(F)F)c2ccccc2CBr
【MOL File】
5-[2-(BROMOMETHYL)PH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:2
XLogP3:4.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
5-[2-(BROMOMETHYL)PHENYL]-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE.cml