3-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}propanoic acid

3-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}propanoic acid

CAS: 866018-88-4

Formula: C12H9F3N2O3

SMILES: OC(=O)CCC1=NC(=NO1)C1=CC=CC(=C1)C(F)(F)F

IUPAC: 3-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}propanoic acid

InChI: InChI=1S/C12H9F3N2O3/c13-12(14,15)8-3-1-2-7(6-8)11-16-9(20-17-11)4-5-10(18)19/h1-3,6H,4-5H2,(H,18,19)

Composition: C (50.36%), H (3.17%), F (19.91%), N (9.79%), O (16.77%)

Molar Mass: 286.21

Atom Count: 29

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	286.056526647
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	UMGPLJPLLMMYNV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.39
Topological Polar Surface Area	76.22
Polarizability	23.1
Ring Count	2
Rotatable Bond Count	5

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	866018-88-4		$51.35-$1,078.30$51.35$63.37$86.31$225.06$359.43$1,078.30