Benzonitrile, 4-hydroxy-3-nitro-


Chemical Name: Benzonitrile, 4-hydroxy-3-nitro-
CAS Number: 3272-08-0
Product Number: AG00I68U(AGN-PC-0JLQ8W)
Synonyms:
MDL No:
Molecular Formula: C7H4N2O3
Molecular Weight: 164.1183

Identification/Properties


Computed Properties
Molecular Weight:
164.12g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
164.022g/mol
Monoisotopic Mass:
164.022g/mol
Topological Polar Surface Area:
89.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
227
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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