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Sulfanilic acid

CAT: 0063-18836625-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0063-18836625-01Size:100 g
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CAS Number
121-57-3

Chemical Information

Sulfanilic acid

4-aminobenzenesulfonic acid is an aminobenzenesulfonic acid that is aniline sulfonated at the para-position. It has a role as a xenobiotic, an allergen, a xenobiotic metabolite and an environmental contaminant. It is a conjugate acid of a 4-aminobenzenesulfonate.

CAS Number121-57-3
PubChem CID8479
IUPAC Name4-aminobenzenesulfonic acid
Molecular FormulaC6H7NO3S
Molecular Weight173.19
XLogP-0.6
Topological Polar Surface Area88.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity210
SMILES
C1=CC(=CC=C1N)S(=O)(=O)O
InChI
InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
InChIKey
HVBSAKJJOYLTQU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sulfanilic acid
CAS: 121-57-3
CID: 8479
Formula: C6H7NO3S
MW: 173.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight173.19
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass173.01466426
Monoisotopic Mass173.01466426
Topological Polar Surface Area88.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity210
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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