Home Sulfos 1-Methanesulfonyl-4-methyl-2-nitrobenzene

1-Methanesulfonyl-4-methyl-2-nitrobenzene

CAS No.:
341029-57-0
Catalog Number:
AG00I6QO
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$188
- +
5g
95%
In Stock USA
United States
$700
- +
Product Description
Catalog Number:
AG00I6QO
Chemical Name:
1-Methanesulfonyl-4-methyl-2-nitrobenzene
CAS Number:
341029-57-0
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
MDL Number:
MFCD28962793
IUPAC Name:
4-methyl-1-methylsulfonyl-2-nitrobenzene
InChI:
InChI=1S/C8H9NO4S/c1-6-3-4-8(14(2,12)13)7(5-6)9(10)11/h3-5H,1-2H3
InChI Key:
CZVYKJIYDDKUJR-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)C
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.025g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.223g/mol
Monoisotopic Mass:
215.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties