Home Sulfos Methyl 5-(methylsulfonyl)-2-nitrobenzoate

Methyl 5-(methylsulfonyl)-2-nitrobenzoate

CAS No.:
949033-22-1
Catalog Number:
AG00IIN8
Molecular Formula:
C9H9NO6S
Molecular Weight:
259.2359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$63
- +
1g
96%
In Stock USA
United States
$150
- +
5g
96%
In Stock USA
United States
$475
- +
10g
96%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG00IIN8
Chemical Name:
Methyl 5-(methylsulfonyl)-2-nitrobenzoate
CAS Number:
949033-22-1
Molecular Formula:
C9H9NO6S
Molecular Weight:
259.2359
MDL Number:
MFCD18071039
IUPAC Name:
methyl 5-methylsulfonyl-2-nitrobenzoate
InChI:
InChI=1S/C9H9NO6S/c1-16-9(11)7-5-6(17(2,14)15)3-4-8(7)10(12)13/h3-5H,1-2H3
InChI Key:
YNZMZUKGZSTLOM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1[N+](=O)[O-])S(=O)(=O)C
Properties
Complexity:
406  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.015g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.232g/mol
Monoisotopic Mass:
259.015g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties