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4-benzoylbenzonitrile

4-benzoylbenzonitrile

CAS: 1503-49-7

Formula: C14H9NO

SMILES: O=C(C1=CC=CC=C1)C1=CC=C(C=C1)C#N

IUPAC: 4-benzoylbenzonitrile

InChI: InChI=1S/C14H9NO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H

Composition: C (81.14%), H (4.38%), N (6.76%), O (7.72%)

Molar Mass: 207.232

Atom Count: 25

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 207.068413914
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey YSZWJJANSNFQMM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.36
Topological Polar Surface Area 40.86
Polarizability 23.83
Ring Count 2
Rotatable Bond Count 2

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95% <7 Days 1503-49-7 $16.56-$964.62$16.56$21.74$55.89$214.25$964.62
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95% <6 Days 1503-49-7 $11.50-$205.85$11.50$19.55$55.20$205.85
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95% <5 Days 1503-49-7 $15.13-$267.33$15.13$25.22$70.62$267.33
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