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Sulfanitran-d4 (Major)

CAT: 0572-TRC-S689042-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S689042-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1794753-46-0
Synonyms
4'-[(p-Nitrophenyl)sulfamoyl]acetanilide-d4; N4-Acetyl-4'-nitrosulfanilanilide-d4; N4-Acetyl-N1-(4-nitrophenyl)sulfanilamide-d4; N4-Acetyl-N1-(p-nitrophenyl)sulfanilamide-d4; NSC 217299-d4; NSC 77120-d4;
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
O=S(C1=C([2H])C([2H])=C(NC(C)=O)C([2H])=C1[2H])(NC2=CC=C([N+]([O-])=O)C=C2)=O
Molecular Formula
C14H9D4N3O5S
Molecular Weight
339.36
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Sulfanitran-d4 (Major)
CAS Number1794753-46-0
PubChem CID71752255
IUPAC NameN-[2,3,5,6-tetradeuterio-4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamide
Molecular FormulaC14H13N3O5S
Molecular Weight339.36
XLogP2
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity524
SMILES
[2H]C1=C(C(=C(C(=C1NC(=O)C)[2H])[2H])S(=O)(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[2H]
InChI
InChI=1S/C14H13N3O5S/c1-10(18)15-11-4-8-14(9-5-11)23(21,22)16-12-2-6-13(7-3-12)17(19)20/h2-9,16H,1H3,(H,15,18)/i4D,5D,8D,9D
InChIKey
GWBPFRGXNGPPMF-DOGSKSIHSA-N
Chemical Structure
2D Structure
2D structure of Sulfanitran-d4 (Major)
CAS: 1794753-46-0
CID: 71752255
Formula: C14H13N3O5S
MW: 339.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.36
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass339.08269868
Monoisotopic Mass339.08269868
Topological Polar Surface Area129 Ų
Heavy Atom Count23
Formal Charge0
Complexity524
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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