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Home Nitriles 2-Hydroxy-5-nitrobenzonitrile

2-Hydroxy-5-nitrobenzonitrile

CAS No.:
39835-09-1
Catalog Number:
AG00CAI2
Molecular Formula:
C7H4N2O3
Molecular Weight:
164.1183
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$119
- +
1g
95%
In Stock USA
United States
$275
- +
5g
95%
In Stock USA
United States
$900
- +
10g
95%
In Stock USA
United States
$1681
- +
Product Description
Catalog Number:
AG00CAI2
Chemical Name:
2-Hydroxy-5-nitrobenzonitrile
CAS Number:
39835-09-1
Molecular Formula:
C7H4N2O3
Molecular Weight:
164.1183
MDL Number:
MFCD00234258
IUPAC Name:
2-hydroxy-5-nitrobenzonitrile
InChI:
InChI=1S/C7H4N2O3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,10H
InChI Key:
MPQNPFJBRPRBFF-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1O)[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:
2.3  
Literature
Title Journal
Role of chemistry versus substrate binding in recruiting promiscuous enzyme functions. Biochemistry 20110405
A study of the influence of ionic liquids properties on the Kemp elimination reaction. Chemistry (Weinheim an der Bergstrasse, Germany) 20090810
Properties