Home Nitriles 3-Methyl-4-nitrobenzonitrile

3-Methyl-4-nitrobenzonitrile

CAS No.:
96784-54-2
Catalog Number:
AG003JQ4
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%
In Stock USA
United States
$126
- +
5g
99%
In Stock USA
United States
$201
- +
Product Description
Catalog Number:
AG003JQ4
Chemical Name:
3-Methyl-4-nitrobenzonitrile
CAS Number:
96784-54-2
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD00017615
IUPAC Name:
3-methyl-4-nitrobenzonitrile
InChI:
InChI=1S/C8H6N2O2/c1-6-4-7(5-9)2-3-8(6)10(11)12/h2-4H,1H3
InChI Key:
IHVNKSXTJZNBQA-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C)[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:
2.6  
Properties