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85119-88-6 | 1,3-Benzenedisulfonamide, 4-amino-6-hydroxy-
CAS No: 85119-88-6 Catalog No: AG004O49 MDL No:
Product Description
Catalog Number:
AG004O49
Chemical Name:
1,3-Benzenedisulfonamide, 4-amino-6-hydroxy-
CAS Number:
85119-88-6
Molecular Formula:
C6H9N3O5S2
Molecular Weight:
267.2828
IUPAC Name:
4-amino-6-hydroxybenzene-1,3-disulfonamide
InChI:
InChI=1S/C6H9N3O5S2/c7-3-1-4(10)6(16(9,13)14)2-5(3)15(8,11)12/h1-2,10H,7H2,(H2,8,11,12)(H2,9,13,14)
InChI Key:
HRSZYCQOVNAYSU-UHFFFAOYSA-N
SMILES:
Nc1cc(O)c(cc1S(=O)(=O)N)S(=O)(=O)N
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.998g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
267.274g/mol
Monoisotopic Mass:
266.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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