Home Nitriles 3-Nitrophenylacetonitrile

3-Nitrophenylacetonitrile

CAS No.:
621-50-1
Catalog Number:
AG00IAZ4
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$44
- +
10g
98%
In Stock USA
United States
$76
- +
25g
98%
In Stock USA
United States
$152
- +
100g
98%
In Stock USA
United States
$406
- +
Product Description
Catalog Number:
AG00IAZ4
Chemical Name:
3-Nitrophenylacetonitrile
CAS Number:
621-50-1
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD00041249
IUPAC Name:
2-(3-nitrophenyl)acetonitrile
InChI:
InChI=1S/C8H6N2O2/c9-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4H2
InChI Key:
WAVKEPUFQMUGBP-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1)[N+](=O)[O-]
EC Number:
210-689-1
NSC Number:
91037
Properties
Complexity:
213  
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:
1.8  
Properties