906352-89-4
5-(2-BROMOPHENYL)-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE
Name5-(2-BROMOPHENYL)-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE
1Identification
【Name】
5-(2-BROMOPHENYL)-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE
【CAS】
【MDL】
MFCD09817512
【English Synonyms】
【Formula】
C11 H8 Br F3 N2
【MolWeight】
305.096
【Inchi】
InChI=1S/C11H8BrF3N2/c1-17-9(6-10(16-17)11(13,14)15)7-4-2-3-5-8(7)12/h2-6H,1H3
【InChIKey】
InChIKey=UKDUPCWWWMHDRH-UHFFFAOYSA-N
【SMILES】
Cn1c(cc(n1)C(F)(F)F)c2ccccc2Br
【MOL File】
5-(2-BROMOPHENYL)-1-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-(2-BROMOPHENYL)-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE.cml