2-(chloromethyl)-5-(4-iodophenyl)-1,3,4-oxadiazole

2-(chloromethyl)-5-(4-iodophenyl)-1,3,4-oxadiazole

CAS: 623907-47-1

Formula: C9H6ClIN2O

SMILES: ClCC1=NN=C(O1)C1=CC=C(I)C=C1

IUPAC: 2-(chloromethyl)-5-(4-iodophenyl)-1,3,4-oxadiazole

InChI: InChI=1S/C9H6ClIN2O/c10-5-8-12-13-9(14-8)6-1-3-7(11)4-2-6/h1-4H,5H2

Composition: C (33.73%), H (1.89%), Cl (11.06%), I (39.59%), N (8.74%), O (4.99%)

Molar Mass: 320.51

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	319.92134
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KEWFAPAJVDCMNP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.64
Topological Polar Surface Area	38.92
Polarizability	24.67
Ring Count	2
Rotatable Bond Count	2

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90%	<2 Days	623907-47-1		$51.35-$524.40$51.35$63.37$86.31$524.40