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

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

CAS: 1283108-04-2

Formula: C9H7IN2O

SMILES: CC1=NOC(=N1)C1=CC=CC=C1I

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

InChI: InChI=1S/C9H7IN2O/c1-6-11-9(13-12-6)7-4-2-3-5-8(7)10/h2-5H,1H3

Composition: C (37.79%), H (2.47%), I (44.36%), N (9.79%), O (5.59%)

Molar Mass: 286.072

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 285.96031
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey LEIOSXBPHMHDGJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.76
Topological Polar Surface Area 38.92
Polarizability 22.66
Ring Count 2
Rotatable Bond Count 1

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