Home Sulfos 3-Methanesulfonyl-4-nitrobenzoic acid

3-Methanesulfonyl-4-nitrobenzoic acid

CAS No.:
1415819-84-9
Catalog Number:
AG009WS6
Molecular Formula:
C8H7NO6S
Molecular Weight:
245.2093
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$313
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Product Description
Catalog Number:
AG009WS6
Chemical Name:
3-Methanesulfonyl-4-nitrobenzoic acid
CAS Number:
1415819-84-9
Molecular Formula:
C8H7NO6S
Molecular Weight:
245.2093
MDL Number:
MFCD22586685
IUPAC Name:
3-methylsulfonyl-4-nitrobenzoic acid
InChI:
InChI=1S/C8H7NO6S/c1-16(14,15)7-4-5(8(10)11)2-3-6(7)9(12)13/h2-4H,1H3,(H,10,11)
InChI Key:
MXGMNAUBXXGJMP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1S(=O)(=O)C)C(=O)O
Properties
Complexity:
392  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.999g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.205g/mol
Monoisotopic Mass:
244.999g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties