944906-47-2
3-(4-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOLE-5-CARBOXYLIC ACID
Name3-(4-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOLE-5-CARBOXYLIC ACID
1Identification
【Name】
3-(4-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOLE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD07379589
【English Synonyms】
【Formula】
C10 H5 F3 N2 O3
【MolWeight】
258.155
【Inchi】
InChI=1S/C10H5F3N2O3/c11-10(12,13)6-3-1-5(2-4-6)7-14-8(9(16)17)18-15-7/h1-4H,(H,16,17)
【InChIKey】
InChIKey=ZFYQFNWJHMOJIK-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1c2nc(on2)C(=O)O)C(F)(F)F
【MOL File】
3-(4-(TRIFLUOROMETHY….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
3-(4-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOLE-5-CARBOXYLIC ACID.cml