883789-95-5
[5-(3-TRIFLUOROMETHYL-PHENYL)-[1,3,4]OXADIAZOL-2-YL]ACETIC ACID
Name
[5-(3-TRIFLUOROMETHYL-PHENYL)-[1,3,4]OXADIAZOL-2-YL]ACETIC ACID
Formula
C11 H7 F3 N2 O3
MolWeight
272.181
1Identification
【Name】
[5-(3-TRIFLUOROMETHYL-PHENYL)-[1,3,4]OXADIAZOL-2-YL]ACETIC ACID
【CAS】
【MDL】
MFCD03937563
【English Synonyms】
【Formula】
C11 H7 F3 N2 O3
【MolWeight】
272.181
【Inchi】
InChI=1S/C11H7F3N2O3/c12-11(13,14)7-3-1-2-6(4-7)10-16-15-8(19-10)5-9(17)18/h1-4H,5H2,(H,17,18)
【InChIKey】
InChIKey=KNJHGOLYBZSGMQ-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)C(F)(F)F)c2nnc(o2)CC(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[5-(3-TRIFLUOROMETHYL-PHENYL)-[1,3,4]OXADIAZOL-2-YL]ACETIC ACID.cml
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