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Sulfachlorpyridazine-d4

CAT: 0572-TRC-S689062-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S689062-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1795037-54-5
Synonyms
4-Amino-N-(6-chloro-3-pyridazinyl)-benzenesulfonamide-d4; 3-Chloro-6-sulfanilamidopyridazine-d4; Sulfaclorazina-d4; Sulfarene-d4.
Hazard Statement
May cause an allergic skin reaction.
Purity
>95% (HPLC)
Smiles
NC1=C([2H])C([2H])=C(S(NC2=NN=C(Cl)C=C2)(=O)=O)C([2H])=C1[2H]
Molecular Formula
C10H5D4ClN4O2S
Molecular Weight
288.75
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Sulfachlorpyridazine-d4
CAS Number1795037-54-5
PubChem CID71752260
IUPAC Name4-amino-N-(6-chloropyridazin-3-yl)-2,3,5,6-tetradeuteriobenzenesulfonamide
Molecular FormulaC10H9ClN4O2S
Molecular Weight288.75
XLogP1
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity365
SMILES
[2H]C1=C(C(=C(C(=C1N)[2H])[2H])S(=O)(=O)NC2=NN=C(C=C2)Cl)[2H]
InChI
InChI=1S/C10H9ClN4O2S/c11-9-5-6-10(14-13-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)/i1D,2D,3D,4D
InChIKey
XOXHILFPRYWFOD-RHQRLBAQSA-N
Chemical Structure
2D Structure
2D structure of Sulfachlorpyridazine-d4
CAS: 1795037-54-5
CID: 71752260
Formula: C10H9ClN4O2S
MW: 288.75
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.75
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass288.0385814
Monoisotopic Mass288.0385814
Topological Polar Surface Area106 Ų
Heavy Atom Count18
Formal Charge0
Complexity365
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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