117724-63-7
2-METHYL-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID
Name2-METHYL-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID
1Identification
【Name】
2-METHYL-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD00173295
【English Synonyms】
【Formula】
C6 H4 F3 N O2 S
【MolWeight】
211.163
【Inchi】
InChI=1S/C6H4F3NO2S/c1-2-10-4(6(7,8)9)3(13-2)5(11)12/h1H3,(H,11,12)
【InChIKey】
InChIKey=REKJPVUFKQYMHW-UHFFFAOYSA-N
【SMILES】
Cc1nc(c(s1)C(=O)O)C(F)(F)F
【MOL File】
2-METHYL-4-(TRIFLUOR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-METHYL-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID.cml