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Home Nitriles 2-(4-Nitrophenyl)acetonitrile

2-(4-Nitrophenyl)acetonitrile

CAS No.:
555-21-5
Catalog Number:
AG00I9WO
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
Product Description
Catalog Number:
AG00I9WO
Chemical Name:
2-(4-Nitrophenyl)acetonitrile
CAS Number:
555-21-5
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD00007372
IUPAC Name:
2-(4-nitrophenyl)acetonitrile
InChI:
InChI=1S/C8H6N2O2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5H2
InChI Key:
PXNJGLAVKOXITN-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)[N+](=O)[O-]
EC Number:
209-085-0
UNII:
086Q9Q6WOT
NSC Number:
5396
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
3-Ferrocenyl-2-(4-nitro-phen-yl)acrylonitrile. Acta crystallographica. Section E, Structure reports online 20110901
Synthesis and characterization of novel 2, 2'-bipyrimidine fluorescent derivative for protein binding. Chemistry Central journal 20110101
Synthesis and photo-physical properties of fluorescent 1,3,5-triazine styryl derivatives. Chemistry Central journal 20110101
5-(4-Nitro-benz-yl)-1H-1,2,3,4-tetra-zole. Acta crystallographica. Section E, Structure reports online 20101101
4-(Cyano-meth-yl)anilinium 4-methyl-benzene-sulfonate monohydrate. Acta crystallographica. Section E, Structure reports online 20100701
trans-3-(3,4-Dimeth-oxy-phen-yl)-2-(4-nitro-phen-yl)prop-2-ene-nitrile. Acta crystallographica. Section E, Structure reports online 20100701
6,8-Di-tert-butyl-3-(4-nitro-phen-yl)-2H-chromen-2-one. Acta crystallographica. Section E, Structure reports online 20100201
(n-Nitrophenyl)acetonitrile, with n = 2, 3 and 4. Acta crystallographica. Section C, Crystal structure communications 20020801
Properties