Home Nitriles 3-Chloro-2-(methylsulfanyl)-5-nitrobenzonitrile

3-Chloro-2-(methylsulfanyl)-5-nitrobenzonitrile

CAS No.:
1820703-59-0
Catalog Number:
AG00I0W1
Molecular Formula:
C8H5ClN2O2S
Molecular Weight:
228.6555
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$100
- +
5g
97%
In Stock USA
United States
$300
- +
10g
97%
In Stock USA
United States
$525
- +
25g
97%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00I0W1
Chemical Name:
3-Chloro-2-(methylsulfanyl)-5-nitrobenzonitrile
CAS Number:
1820703-59-0
Molecular Formula:
C8H5ClN2O2S
Molecular Weight:
228.6555
MDL Number:
MFCD28096659
IUPAC Name:
3-chloro-2-methylsulfanyl-5-nitrobenzonitrile
InChI:
InChI=1S/C8H5ClN2O2S/c1-14-8-5(4-10)2-6(11(12)13)3-7(8)9/h2-3H,1H3
InChI Key:
ZYAAYRNKNWUCBZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cc(c1SC)Cl)[N+](=O)[O-]
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.976g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.65g/mol
Monoisotopic Mass:
227.976g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties