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4-(1,2,4-oxadiazol-3-yl)benzaldehyde

4-(1,2,4-oxadiazol-3-yl)benzaldehyde

CAS: 545424-41-7

Formula: C9H6N2O2

SMILES: O=CC1=CC=C(C=C1)C1=NOC=N1

IUPAC: 4-(1,2,4-oxadiazol-3-yl)benzaldehyde

InChI: InChI=1S/C9H6N2O2/c12-5-7-1-3-8(4-2-7)9-10-6-13-11-9/h1-6H

Composition: C (62.07%), H (3.47%), N (16.09%), O (18.37%)

Molar Mass: 174.159

Atom Count: 19

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 174.042927441
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey KPIGPNUESQGOAO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.67
Topological Polar Surface Area 55.99
Polarizability 17.62
Ring Count 2
Rotatable Bond Count 2

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