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

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

CAS: 852180-69-9

Formula: C10H7N3O2

SMILES: CC1=NC(=NO1)C1=CC(=CC=C1)N=C=O

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

InChI: InChI=1S/C10H7N3O2/c1-7-12-10(13-15-7)8-3-2-4-9(5-8)11-6-14/h2-5H,1H3

Composition: C (59.70%), H (3.51%), N (20.89%), O (15.90%)

Molar Mass: 201.185

Atom Count: 22

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 201.053826477
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey ABQISPPNPKPCKF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.6
Topological Polar Surface Area 68.35
Polarizability 19.82
Ring Count 2
Rotatable Bond Count 2

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