944896-48-4
3-(TRIFLUOROMETHYL)-1,2,4-OXADIAZOLE-5-CARBOXYLIC ACID
Name3-(TRIFLUOROMETHYL)-1,2,4-OXADIAZOLE-5-CARBOXYLIC ACID
1Identification
【Name】
3-(TRIFLUOROMETHYL)-1,2,4-OXADIAZOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD10696414
【English Synonyms】
【Formula】
C4 H F3 N2 O3
【MolWeight】
182.057
【Inchi】
InChI=1S/C4HF3N2O3/c5-4(6,7)3-8-1(2(10)11)12-9-3/h(H,10,11)
【InChIKey】
InChIKey=FCCKWAQWPSXDOO-UHFFFAOYSA-N
【SMILES】
c1(nc(no1)C(F)(F)F)C(=O)O
【MOL File】
3-(TRIFLUOROMETHYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-(TRIFLUOROMETHYL)-1,2,4-OXADIAZOLE-5-CARBOXYLIC ACID.cml