93618-46-3
3-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
Name3-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
3-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD04606308
【English Synonyms】
【Formula】
C13 H11 F3 N2 O2
【MolWeight】
284.236
【Inchi】
InChI=1S/C13H11F3N2O2/c1-2-20-12(19)11-7-10(17-18-11)8-4-3-5-9(6-8)13(14,15)16/h3-7H,2H2,1H3,(H,17,18)
【InChIKey】
InChIKey=QZBSWLGAOQQJNN-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cc(n[nH]1)c2cccc(c2)C(F)(F)F
【MOL File】
3-[3-(TRIFLUOROMETHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER.cml