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1020718-78-8,MFCD04116085
Catalog No.:AA0006G2
1020718-78-8 | Acetamide-2,2,2-d3, N-[4-(sulfooxy)phenyl]-
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1mg
3 weeks  
$379.00   $265.00
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10mg
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$1,836.00   $1,285.00
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Technical Information
Catalog Number:
AA0006G2
Chemical Name:
Acetamide-2,2,2-d3, N-[4-(sulfooxy)phenyl]-
CAS Number:
1020718-78-8
Molecular Formula:
C8H6D3NO5S
Molecular Weight:
234.2442
MDL Number:
MFCD04116085
IUPAC Name:
[4-[(2,2,2-trideuterioacetyl)amino]phenyl] hydrogen sulfate
InChI:
InChI=1S/C8H9NO5S/c1-6(10)9-7-2-4-8(5-3-7)14-15(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13)/i1D3
InChI Key:
IGTYILLPRJOVFY-FIBGUPNXSA-N
SMILES:
O=C(C([2H])([2H])[2H])Nc1ccc(cc1)OS(=O)(=O)O
Properties
Computed Properties
 
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.039g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
3  
Molecular Weight:
234.24g/mol
Monoisotopic Mass:
234.039g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

Synonyms
 
4-Acetaminophen-d3 Sulfate 
1020718-78-8 
N-Acetyl-p-aminophenyl-d3 Sulfate 
N-[4-(Sulfooxy)phenyl]acetamide-d3 
AKOS030240993 
AB20657 
FT-0661043 
Acetamide-2,2,2-d3, N-[4-(sulfooxy)phenyl]- 
J-000565 
4-Acetaminophen D3 Sulfate 
CS-T-46983 
Paracetamol-d3 Sulfate 
Acetaminophen-d3 Sulfate 
Paracetamol-d3 O-Sulfate 
PCM-S-d3 
4-[(~2~H_3_)Ethanoylamino]phenyl hydrogen sulfate 
4-Hydroxyacetanilide-d3 Sulfate 
CTK8F5588 
DTXSID50670070 
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