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5-(2,4-dichlorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole

5-(2,4-dichlorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole

CAS: 694521-58-9

Formula: C14H7Cl2N3O3

SMILES: [O-][N+](=O)C1=CC(=CC=C1)C1=NOC(=N1)C1=CC=C(Cl)C=C1Cl

IUPAC: 5-(2,4-dichlorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole

InChI: InChI=1S/C14H7Cl2N3O3/c15-9-4-5-11(12(16)7-9)14-17-13(18-22-14)8-2-1-3-10(6-8)19(20)21/h1-7H

Composition: C (50.03%), H (2.10%), Cl (21.09%), N (12.50%), O (14.28%)

Molar Mass: 336.13

Atom Count: 29

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 334.9864465
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey UKJADNVCKXUUJF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 103.12
Topological Polar Surface Area 82.06
Polarizability 31.7
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
96% <6 Days 694521-58-9 $246.10-$1,930.85$246.10$572.70$1,930.85
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