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113468-01-2 | Benzenesulfonic acid, 3-(sulfoamino)-
CAS No: 113468-01-2 Catalog No: AG0008OX MDL No:
Product Description
Catalog Number:
AG0008OX
Chemical Name:
Benzenesulfonic acid, 3-(sulfoamino)-
CAS Number:
113468-01-2
Molecular Formula:
C6H7NO6S2
Molecular Weight:
253.2529
IUPAC Name:
3-(sulfoamino)benzenesulfonic acid
InChI:
InChI=1S/C6H7NO6S2/c8-14(9,10)6-3-1-2-5(4-6)7-15(11,12)13/h1-4,7H,(H,8,9,10)(H,11,12,13)
InChI Key:
BMBDQUJVSIYMCK-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)Nc1cccc(c1)S(=O)(=O)O
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.971g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
253.243g/mol
Monoisotopic Mass:
252.971g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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