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Home Nitriles 3,5-Dinitrobenzonitrile

3,5-Dinitrobenzonitrile

CAS No.:
4110-35-4
Catalog Number:
AG0033JQ
Molecular Formula:
C7H3N3O4
Molecular Weight:
193.1164
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$50
- +
25g
98%
In Stock USA
United States
$150
- +
100g
98%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG0033JQ
Chemical Name:
3,5-Dinitrobenzonitrile
CAS Number:
4110-35-4
Molecular Formula:
C7H3N3O4
Molecular Weight:
193.1164
MDL Number:
MFCD00007228
IUPAC Name:
3,5-dinitrobenzonitrile
InChI:
InChI=1S/C7H3N3O4/c8-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3H
InChI Key:
SSDNULNTQAUNFQ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
EC Number:
223-889-9
NSC Number:
35873
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.012g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.118g/mol
Monoisotopic Mass:
193.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
New polymeric buffer materials with low driving voltage. Journal of nanoscience and nanotechnology 20120201
Application of the PM6 method to modeling the solid state. Journal of molecular modeling 20080601
Nitrobenzene compounds inhibit expression of VCAM-1. Bioorganic & medicinal chemistry letters 20010723
Properties