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Sulfanilic Acid-d4

CAT: 0572-TRC-S689097-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S689097-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1235219-21-2
Synonyms
4-Amino(benzene-d4)sulfonic Acid; 1-Amino-(benzene-d4)-4-sulfonic Acid; 4-Aminophenylsulfonic Acid-d4; 4-Sulfoaniline-d4; (Aniline-d4)-4-sulfonic Acid; (Aniline-d4)-p-sulfonic Acid; NSC 7170-d4; Sulphanilic Acid-d4; p-Aminobenzenesulfonic Acid-d4; p-Aminophenylsulfonic Acid-d4; p-Sulfoaniline-d4;
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
NC1=C([2H])C([2H])=C(S(=O)(O)=O)C([2H])=C1[2H]
Molecular Formula
C6H3D4NO3S
Molecular Weight
177.21
InChI
InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)/i1D,2D,3D,4D
Additionnal Information
IUPAC name: 4-aminobenzene-2,3,5,6-d4-sulfonic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Amino(~2~H_4_)benzene-1-sulfonic acid

See also: Sulfanilic acid (annotation moved to) ... View More ...

CAS Number1235219-21-2
PubChem CID46703509
IUPAC Name4-amino-2,3,5,6-tetradeuteriobenzenesulfonic acid
Molecular FormulaC6H7NO3S
Molecular Weight177.22
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
[2H]C1=C(C(=C(C(=C1N)[2H])[2H])S(=O)(=O)O)[2H]
InChI
InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)/i1D,2D,3D,4D
InChIKey
HVBSAKJJOYLTQU-RHQRLBAQSA-N
Chemical Structure
2D Structure
2D structure of 4-Amino(~2~H_4_)benzene-1-sulfonic acid
CAS: 1235219-21-2
CID: 46703509
Formula: C6H7NO3S
MW: 177.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight177.22
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass177.03977124
Monoisotopic Mass177.03977124
Topological Polar Surface Area88.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity210
Isotope Atom Count4
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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