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

1-Methanesulfonyl-4-methoxy-2-nitrobenzene

CAS No.:
1187658-92-9
Catalog Number:
AG0094C2
Molecular Formula:
C8H9NO5S
Molecular Weight:
231.2258
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$188
- +
5g
96%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG0094C2
Chemical Name:
1-Methanesulfonyl-4-methoxy-2-nitrobenzene
CAS Number:
1187658-92-9
Molecular Formula:
C8H9NO5S
Molecular Weight:
231.2258
MDL Number:
MFCD23699506
IUPAC Name:
4-methoxy-1-methylsulfonyl-2-nitrobenzene
InChI:
InChI=1S/C8H9NO5S/c1-14-6-3-4-8(15(2,12)13)7(5-6)9(10)11/h3-5H,1-2H3
InChI Key:
HXLKMLLNFYMITG-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)C
Properties
Complexity:
328  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.02g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.222g/mol
Monoisotopic Mass:
231.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties