Home Nitriles 5-Methyl-2-nitrobenzonitrile

5-Methyl-2-nitrobenzonitrile

CAS No.:
64113-86-6
Catalog Number:
AG00EJUE
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$35
- +
5g
96%
In Stock USA
United States
$107
- +
10g
96%
In Stock USA
United States
$157
- +
25g
96%
In Stock USA
United States
$307
- +
Product Description
Catalog Number:
AG00EJUE
Chemical Name:
5-Methyl-2-nitrobenzonitrile
CAS Number:
64113-86-6
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD00267507
IUPAC Name:
5-methyl-2-nitrobenzonitrile
InChI:
InChI=1S/C8H6N2O2/c1-6-2-3-8(10(11)12)7(4-6)5-9/h2-4H,1H3
InChI Key:
USQNWFKYQFQGLB-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)ccc1[N+](=O)[O-]
Properties
Complexity:
225  
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:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties