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Home Nitriles 3-Nitrophthalonitrile

3-Nitrophthalonitrile

CAS No.:
51762-67-5
Catalog Number:
AG0038OI
Molecular Formula:
C8H3N3O2
Molecular Weight:
173.1283
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$10
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$250
- +
Product Description
Catalog Number:
AG0038OI
Chemical Name:
3-Nitrophthalonitrile
CAS Number:
51762-67-5
Molecular Formula:
C8H3N3O2
Molecular Weight:
173.1283
MDL Number:
MFCD00191558
IUPAC Name:
3-nitrobenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C8H3N3O2/c9-4-6-2-1-3-8(11(12)13)7(6)5-10/h1-3H
InChI Key:
UZJZIZFCQFZDHP-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1C#N)[N+](=O)[O-]
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.023g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.131g/mol
Monoisotopic Mass:
173.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
4-(2-Chloro-ethoxy)phthalonitrile. Acta crystallographica. Section E, Structure reports online 20081201
3-(2-Nitro-phen-oxy)phthalonitrile. Acta crystallographica. Section E, Structure reports online 20080201
Synthesis, Characterization, and In Vitro Photodynamic Activity of Novel Amphiphilic Zinc(II) Phthalocyanines Bearing Oxyethylene-Rich Substituents. Metal-based drugs 20080101
3,4-Dicyano-phenyl 2,3,4,6-tetra-O-acetyl-α-d-glucopyran-oside. Acta crystallographica. Section E, Structure reports online 20080101
Properties