Home Nitriles 4-Chloro-2-nitrobenzonitrile

4-Chloro-2-nitrobenzonitrile

CAS No.:
34662-32-3
Catalog Number:
AG003L40
Molecular Formula:
C7H3ClN2O2
Molecular Weight:
182.5639
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$75
- +
500g
98%
In Stock USA
United States
$325
- +
Product Description
Catalog Number:
AG003L40
Chemical Name:
4-Chloro-2-nitrobenzonitrile
CAS Number:
34662-32-3
Molecular Formula:
C7H3ClN2O2
Molecular Weight:
182.5639
MDL Number:
MFCD00027398
IUPAC Name:
4-chloro-2-nitrobenzonitrile
InChI:
InChI=1S/C7H3ClN2O2/c8-6-2-1-5(4-9)7(3-6)10(11)12/h1-3H
InChI Key:
OZKOAADVLVCNFO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1[N+](=O)[O-])Cl
EC Number:
252-133-0
NSC Number:
93896
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.988g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.563g/mol
Monoisotopic Mass:
181.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Nitrobenzene compounds inhibit expression of VCAM-1. Bioorganic & medicinal chemistry letters 20010723
Properties