840490-23-5
5-(TRIFLUOROMETHYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID
Name5-(TRIFLUOROMETHYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID
1Identification
【Name】
5-(TRIFLUOROMETHYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD16877847
【English Synonyms】
【Formula】
C5 H3 F3 N2 O2
【MolWeight】
180.085
【Inchi】
InChI=1S/C5H3F3N2O2/c6-5(7,8)3-2(4(11)12)9-1-10-3/h1H,(H,9,10)(H,11,12)
【InChIKey】
InChIKey=UNYBSERVIMALSJ-UHFFFAOYSA-N
【SMILES】
c1[nH]c(c(n1)C(=O)O)C(F)(F)F
【MOL File】
5-(TRIFLUOROMETHYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(TRIFLUOROMETHYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID.cml