719274-67-6
5-[2-(TRIFLUOROMETHYL)PHENYL]-1H-1,2,3,4-TETRAAZOLE
Name5-[2-(TRIFLUOROMETHYL)PHENYL]-1H-1,2,3,4-TETRAAZOLE
1Identification
【Name】
5-[2-(TRIFLUOROMETHYL)PHENYL]-1H-1,2,3,4-TETRAAZOLE
【CAS】
【MDL】
MFCD00220753
【English Synonyms】
【Formula】
C8 H5 F3 N4
【MolWeight】
214.15
【Inchi】
InChI=1S/C8H5F3N4/c9-8(10,11)6-4-2-1-3-5(6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)
【InChIKey】
InChIKey=TXJPDNSMRRSOGY-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)c2[nH]nnn2)C(F)(F)F
【MOL File】
5-[2-(TRIFLUOROMETHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-[2-(TRIFLUOROMETHYL)PHENYL]-1H-1,2,3,4-TETRAAZOLE.cml