3-(chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

3-(chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

CAS: 175205-63-7

Formula: C10H6ClF3N2O

SMILES: FC(F)(F)C1=CC(=CC=C1)C1=NC(CCl)=NO1

IUPAC: 3-(chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

InChI: InChI=1S/C10H6ClF3N2O/c11-5-8-15-9(17-16-8)6-2-1-3-7(4-6)10(12,13)14/h1-4H,5H2

Composition: C (45.74%), H (2.30%), Cl (13.50%), F (21.70%), N (10.67%), O (6.09%)

Molar Mass: 262.62

Atom Count: 23

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	262.012075
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	INANILNLXTUPHD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.13
Topological Polar Surface Area	38.92
Polarizability	20.71
Ring Count	2
Rotatable Bond Count	3

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