Home Sulfos 3-Nitrobenzenesulfonic acid hydrate

3-Nitrobenzenesulfonic acid hydrate

CAS No.:
79326-96-8
Catalog Number:
AG00G4P2
Molecular Formula:
C6H7NO6S
Molecular Weight:
221.1879
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$38
- +
5g
95%
In Stock USA
United States
$150
- +
Product Description
Catalog Number:
AG00G4P2
Chemical Name:
3-Nitrobenzenesulfonic acid hydrate
CAS Number:
79326-96-8
Molecular Formula:
C6H7NO6S
Molecular Weight:
221.1879
MDL Number:
MFCD00064383
IUPAC Name:
3-nitrobenzenesulfonic acid;hydrate
InChI:
InChI=1S/C6H5NO5S.H2O/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,10,11,12);1H2
InChI Key:
PQEALYGHSZTSEQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)S(=O)(=O)O.O
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.999g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.183g/mol
Monoisotopic Mass:
220.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties