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5-hydroxy-2-nitrobenzonitrile

5-hydroxy-2-nitrobenzonitrile

CAS: 13589-74-7

Formula: C7H4N2O3

SMILES: OC1=CC(C#N)=C(C=C1)[N+]([O-])=O

IUPAC: 5-hydroxy-2-nitrobenzonitrile

InChI: InChI=1S/C7H4N2O3/c8-4-5-3-6(10)1-2-7(5)9(11)12/h1-3,10H

Composition: C (51.23%), H (2.46%), N (17.07%), O (29.25%)

Molar Mass: 164.12

Atom Count: 16

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 164.022191997
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey IVDZYHBBWXCWGN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.08
Topological Polar Surface Area 87.16
Polarizability 14.73
Ring Count 1
Rotatable Bond Count 1

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Struchem co.,ltd
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 13589-74-7 $646.00-$1,385.00$646.00$1,385.00
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Chemcia Scientific, LLC
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95% <2 Days 13589-74-7 $201.25-$1,104.00$201.25$747.50$1,104.00
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