Home Nitriles 2-Methyl-6-nitrobenzonitrile

2-Methyl-6-nitrobenzonitrile

CAS No.:
1885-76-3
Catalog Number:
AG002GXJ
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$38
- +
5g
98%
In Stock USA
United States
$132
- +
10g
98%
In Stock USA
United States
$244
- +
25g
98%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG002GXJ
Chemical Name:
2-Methyl-6-nitrobenzonitrile
CAS Number:
1885-76-3
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD12783994
IUPAC Name:
2-methyl-6-nitrobenzonitrile
InChI:
InChI=1S/C8H6N2O2/c1-6-3-2-4-8(10(11)12)7(6)5-9/h2-4H,1H3
InChI Key:
BOTPDHNZLRJZOO-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cccc1[N+](=O)[O-]
EC Number:
217-553-0
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