Home Nitriles 2-Hydroxy-3-nitrobenzonitrile

2-Hydroxy-3-nitrobenzonitrile

CAS No.:
28177-79-9
Catalog Number:
AG007L7T
Molecular Formula:
C7H4N2O3
Molecular Weight:
164.1183
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Product Description
Catalog Number:
AG007L7T
Chemical Name:
2-Hydroxy-3-nitrobenzonitrile
CAS Number:
28177-79-9
Molecular Formula:
C7H4N2O3
Molecular Weight:
164.1183
MDL Number:
MFCD00234257
IUPAC Name:
2-hydroxy-3-nitrobenzonitrile
InChI:
InChI=1S/C7H4N2O3/c8-4-5-2-1-3-6(7(5)10)9(11)12/h1-3,10H
InChI Key:
ZUOCMGGILLTISV-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1O)[N+](=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:
1.3  
Properties