340736-76-7
4-(5-(TRIFLUOROMETHYL)-1,2,4-OXADIAZOL-3-YL)BENZOIC ACID
Name4-(5-(TRIFLUOROMETHYL)-1,2,4-OXADIAZOL-3-YL)BENZOIC ACID
1Identification
【Name】
4-(5-(TRIFLUOROMETHYL)-1,2,4-OXADIAZOL-3-YL)BENZOIC ACID
【CAS】
【MDL】
MFCD16659622
【English Synonyms】
【Formula】
C10 H5 F3 N2 O3
【MolWeight】
258.155
【Inchi】
InChI=1S/C10H5F3N2O3/c11-10(12,13)9-14-7(15-18-9)5-1-3-6(4-2-5)8(16)17/h1-4H,(H,16,17)
【InChIKey】
InChIKey=WJQLFPSEXHEXRM-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1c2nc(on2)C(F)(F)F)C(=O)O
【MOL File】
4-(5-(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
4-(5-(TRIFLUOROMETHYL)-1,2,4-OXADIAZOL-3-YL)BENZOIC ACID.cml