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2-[2-(4-nitrophenyl)ethynyl]anthracene

2-[2-(4-nitrophenyl)ethynyl]anthracene

Formula: C22H13NO2

SMILES: [O-][N+](=O)C1=CC=C(C=C1)C#CC1=CC2=CC3=CC=CC=C3C=C2C=C1

IUPAC: 2-[2-(4-nitrophenyl)ethynyl]anthracene

InChI: InChI=1S/C22H13NO2/c24-23(25)22-11-8-16(9-12-22)5-6-17-7-10-20-14-18-3-1-2-4-19(18)15-21(20)13-17/h1-4,7-15H

Composition: C (81.72%), H (4.05%), N (4.33%), O (9.90%)

Molar Mass: 323.351

Atom Count: 38

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 323.094628663
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey WNZMKZCJOFTJCK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 93.12
Topological Polar Surface Area 43.14
Polarizability 39.49
Ring Count 4
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H13NO2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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