4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid

4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid

CAS: 340736-76-7

Formula: C10H5F3N2O3

SMILES: OC(=O)C1=CC=C(C=C1)C1=NOC(=N1)C(F)(F)F

IUPAC: 4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid

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)

Composition: C (46.53%), H (1.95%), F (22.08%), N (10.85%), O (18.59%)

Molar Mass: 258.156

Atom Count: 23

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	258.025226518
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WJQLFPSEXHEXRM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.79
Topological Polar Surface Area	76.22
Polarizability	19.52
Ring Count	2
Rotatable Bond Count	3

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