646989-38-0
1-[3,5-DI(TRIFLUOROMETHYL)PHENYL]-5-METHYL-1H-1,2,3-TRIAZOLE
Name1-[3,5-DI(TRIFLUOROMETHYL)PHENYL]-5-METHYL-1H-1,2,3-TRIAZOLE
1Identification
【Name】
1-[3,5-DI(TRIFLUOROMETHYL)PHENYL]-5-METHYL-1H-1,2,3-TRIAZOLE
【CAS】
【MDL】
MFCD00119636
【English Synonyms】
【Formula】
C11 H7 F6 N3
【MolWeight】
295.185
【Inchi】
InChI=1S/C11H7F6N3/c1-6-5-18-19-20(6)9-3-7(10(12,13)14)2-8(4-9)11(15,16)17/h2-5H,1H3
【InChIKey】
InChIKey=NKKVVVGMEYEXGG-UHFFFAOYSA-N
【SMILES】
Cc1cnnn1c2cc(cc(c2)C(F)(F)F)C(F)(F)F
【MOL File】
1-[3,5-DI(TRIFLUOROM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[3,5-DI(TRIFLUOROMETHYL)PHENYL]-5-METHYL-1H-1,2,3-TRIAZOLE.cml