499771-21-0
5-METHYL-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID
Name5-METHYL-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID
1Identification
【Name】
5-METHYL-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD00052208
【English Synonyms】
【Formula】
C11 H8 F3 N3 O2
【MolWeight】
271.197
【Inchi】
InChI=1S/C11H8F3N3O2/c1-6-9(10(18)19)15-16-17(6)8-4-2-3-7(5-8)11(12,13)14/h2-5H,1H3,(H,18,19)
【InChIKey】
InChIKey=IRJLZHQBWAUKGA-UHFFFAOYSA-N
【SMILES】
Cc1c(nnn1c2cccc(c2)C(F)(F)F)C(=O)O
【MOL File】
5-METHYL-1-[3-(TRIFL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID.cml