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

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

CAS: 33575-83-6

Formula: C9H7ClN2O

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

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

InChI: InChI=1S/C9H7ClN2O/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-5H,6H2

Composition: C (55.54%), H (3.63%), Cl (18.22%), N (14.39%), O (8.22%)

Molar Mass: 194.62

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	194.0246906
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	AGLNTFQAHIRTFA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.28
Topological Polar Surface Area	38.92
Polarizability	19.39
Ring Count	2
Rotatable Bond Count	2

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