Home Nitriles 4-Methyl-2-nitrobenzonitrile

4-Methyl-2-nitrobenzonitrile

CAS No.:
26830-95-5
Catalog Number:
AG003LQ5
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
$100
- +
10g
98%
In Stock USA
United States
$175
- +
25g
98%
In Stock USA
United States
$300
- +
100g
98%
In Stock USA
United States
$869
- +
Product Description
Catalog Number:
AG003LQ5
Chemical Name:
4-Methyl-2-nitrobenzonitrile
CAS Number:
26830-95-5
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD00056107
IUPAC Name:
4-methyl-2-nitrobenzonitrile
InChI:
InChI=1S/C8H6N2O2/c1-6-2-3-7(5-9)8(4-6)10(11)12/h2-4H,1H3
InChI Key:
QGBSLPHQCUIZKK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1[N+](=O)[O-])C
EC Number:
248-019-5
NSC Number:
60828
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:
1.9  
Properties