Home Nitriles 2-Chloro-5-nitrobenzonitrile

2-Chloro-5-nitrobenzonitrile

CAS No.:
16588-02-6
Catalog Number:
AG001WDY
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
$38
- +
100g
98%
In Stock USA
United States
$113
- +
Product Description
Catalog Number:
AG001WDY
Chemical Name:
2-Chloro-5-nitrobenzonitrile
CAS Number:
16588-02-6
Molecular Formula:
C7H3ClN2O2
Molecular Weight:
182.5639
MDL Number:
MFCD00007292
IUPAC Name:
2-chloro-5-nitrobenzonitrile
InChI:
InChI=1S/C7H3ClN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H
InChI Key:
ZGILLTVEEBNDOB-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1Cl)[N+](=O)[O-]
EC Number:
240-643-6
NSC Number:
28973
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:
2.2  
Literature
Title Journal
Nitrobenzene compounds inhibit expression of VCAM-1. Bioorganic & medicinal chemistry letters 20010723
Properties