61859-96-9
METHYL 3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE
NameMETHYL 3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE
1Identification
【Name】
METHYL 3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE
【CAS】
【MDL】
MFCD13151914
【English Synonyms】
【Formula】
C6 H5 F3 N2 O2
【MolWeight】
194.111
【Inchi】
InChI=1S/C6H5F3N2O2/c1-13-5(12)3-2-10-11-4(3)6(7,8)9/h2H,1H3,(H,10,11)
【InChIKey】
InChIKey=QWSUIVAZSMPWAO-UHFFFAOYSA-N
【SMILES】
COC(=O)c1c[nH]nc1C(F)(F)F
【MOL File】
METHYL 3-(TRIFLUOROM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE.cml