Home Sulfos 2-Bromo-5-methylsulfonylnitrobenzene

2-Bromo-5-methylsulfonylnitrobenzene

CAS No.:
94832-06-1
Catalog Number:
AG005UE7
Molecular Formula:
C7H6BrNO4S
Molecular Weight:
280.0958
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$51
- +
1g
98%
In Stock USA
United States
$53
- +
5g
98%
In Stock USA
United States
$158
- +
25g
98%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG005UE7
Chemical Name:
2-Bromo-5-methylsulfonylnitrobenzene
CAS Number:
94832-06-1
Molecular Formula:
C7H6BrNO4S
Molecular Weight:
280.0958
MDL Number:
MFCD00054605
IUPAC Name:
1-bromo-4-methylsulfonyl-2-nitrobenzene
InChI:
InChI=1S/C7H6BrNO4S/c1-14(12,13)5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
InChI Key:
ZRANEAXTVRBKGK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Br)S(=O)(=O)C
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.92g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.092g/mol
Monoisotopic Mass:
278.92g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties