641571-13-3
3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)BENZOIC ACID
Name3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)BENZOIC ACID
1Identification
【Name】
3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)BENZOIC ACID
【CAS】
【MDL】
MFCD09998833
【English Synonyms】
【Formula】
C12 H9 F3 N2 O2
【MolWeight】
270.209
【Inchi】
InChI=1S/C12H9F3N2O2/c1-7-5-17(6-16-7)10-3-8(11(18)19)2-9(4-10)12(13,14)15/h2-6H,1H3,(H,18,19)
【InChIKey】
InChIKey=ZQOCDOFDUXPNGM-UHFFFAOYSA-N
【SMILES】
Cc1cn(cn1)c2cc(cc(c2)C(F)(F)F)C(=O)O
【MOL File】
3-(4-METHYL-1H-IMIDA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)BENZOIC ACID.cml