Home Nitriles 5-Chloro-2-methyl-4-nitrobenzonitrile

5-Chloro-2-methyl-4-nitrobenzonitrile

CAS No.:
101495-54-9
Catalog Number:
AG0004M1
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$137
- +
250mg
95%
In Stock USA
United States
$246
- +
1g
95%
In Stock USA
United States
$492
- +
Product Description
Catalog Number:
AG0004M1
Chemical Name:
5-Chloro-2-methyl-4-nitrobenzonitrile
CAS Number:
101495-54-9
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
MDL Number:
MFCD23099965
IUPAC Name:
5-chloro-2-methyl-4-nitrobenzonitrile
InChI:
InChI=1S/C8H5ClN2O2/c1-5-2-8(11(12)13)7(9)3-6(5)4-10/h2-3H,1H3
InChI Key:
ICPPDFBNUAGZKN-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)c(cc1C)[N+](=O)[O-]
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.004g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.59g/mol
Monoisotopic Mass:
196.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties