Home Sulfos 2-Methanesulfonyl-5-nitrobenzonitrile

2-Methanesulfonyl-5-nitrobenzonitrile

CAS No.:
180297-57-8
Catalog Number:
AG00I014
Molecular Formula:
C8H6N2O4S
Molecular Weight:
226.2092
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$100
- +
5g
97%
In Stock USA
United States
$300
- +
25g
97%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG00I014
Chemical Name:
2-Methanesulfonyl-5-nitrobenzonitrile
CAS Number:
180297-57-8
Molecular Formula:
C8H6N2O4S
Molecular Weight:
226.2092
MDL Number:
MFCD28962761
IUPAC Name:
2-methylsulfonyl-5-nitrobenzonitrile
InChI:
InChI=1S/C8H6N2O4S/c1-15(13,14)8-3-2-7(10(11)12)4-6(8)5-9/h2-4H,1H3
InChI Key:
OTEUADHWTAXVNH-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1S(=O)(=O)C)[N+](=O)[O-]
Properties
Complexity:
397  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.005g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.206g/mol
Monoisotopic Mass:
226.005g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties