Home Sulfos Benzenesulfonic acid, 3-amino-4-hydroxy-5-nitro-, hydrate (1:1)

Benzenesulfonic acid, 3-amino-4-hydroxy-5-nitro-, hydrate (1:1)

CAS No.:
175278-60-1
Catalog Number:
AG0020UX
Molecular Formula:
C6H8N2O7S
Molecular Weight:
252.2019
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Product Description
Catalog Number:
AG0020UX
Chemical Name:
Benzenesulfonic acid, 3-amino-4-hydroxy-5-nitro-, hydrate (1:1)
CAS Number:
175278-60-1
Molecular Formula:
C6H8N2O7S
Molecular Weight:
252.2019
MDL Number:
MFCD00035910
IUPAC Name:
3-amino-4-hydroxy-5-nitrobenzenesulfonic acid;hydrate
InChI:
InChI=1S/C6H6N2O6S.H2O/c7-4-1-3(15(12,13)14)2-5(6(4)9)8(10)11;/h1-2,9H,7H2,(H,12,13,14);1H2
InChI Key:
HJASIPICABEOAV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1O)N)S(=O)(=O)O.O
Properties
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.005g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
252.197g/mol
Monoisotopic Mass:
252.005g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties