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2-benzoyl-4-nitrobenzonitrile

2-benzoyl-4-nitrobenzonitrile

Formula: C14H8N2O3

SMILES: [O-][N+](=O)C1=CC(C(=O)C2=CC=CC=C2)=C(C=C1)C#N

IUPAC: 2-benzoyl-4-nitrobenzonitrile

InChI: InChI=1S/C14H8N2O3/c15-9-11-6-7-12(16(18)19)8-13(11)14(17)10-4-2-1-3-5-10/h1-8H

Composition: C (66.67%), H (3.20%), N (11.11%), O (19.03%)

Molar Mass: 252.229

Atom Count: 27

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 252.053492126
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey PFVXYQPMMVODQS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.68
Topological Polar Surface Area 84
Polarizability 25.68
Ring Count 2
Rotatable Bond Count 3

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C14H8N2O3 $1,760.00-$3,520.00$1,760.00$2,750.00$3,520.00
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