3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid

3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid

CAS: 728024-51-9

Formula: C11H9ClN2O3

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

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

InChI: InChI=1S/C11H9ClN2O3/c12-8-4-2-1-3-7(8)11-13-9(17-14-11)5-6-10(15)16/h1-4H,5-6H2,(H,15,16)

Composition: C (52.29%), H (3.59%), Cl (14.03%), N (11.09%), O (19.00%)

Molar Mass: 252.65

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	252.0301699
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KZPZGRUXMCHZRL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.22
Topological Polar Surface Area	76.22
Polarizability	23.73
Ring Count	2
Rotatable Bond Count	4

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