Home Nitriles Benzonitrile, 3-hydroxy-2-nitro-

Benzonitrile, 3-hydroxy-2-nitro-

CAS No.:
129298-23-3
Catalog Number:
AG000Z26
Molecular Formula:
C7H4N2O3
Molecular Weight:
164.1183
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Product Description
Catalog Number:
AG000Z26
Chemical Name:
Benzonitrile, 3-hydroxy-2-nitro-
CAS Number:
129298-23-3
Molecular Formula:
C7H4N2O3
Molecular Weight:
164.1183
MDL Number:
MFCD09834347
IUPAC Name:
3-hydroxy-2-nitrobenzonitrile
InChI:
InChI=1S/C7H4N2O3/c8-4-5-2-1-3-6(10)7(5)9(11)12/h1-3,10H
InChI Key:
JELNXWUZFOQXGZ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1[N+](=O)[O-])O
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.022g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.12g/mol
Monoisotopic Mass:
164.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties