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1020718-78-8 | Acetamide-2,2,2-d3, N-[4-(sulfooxy)phenyl]-
CAS No: 1020718-78-8 Catalog No: AG0006IU MDL No:
Product Description
Catalog Number:
AG0006IU
Chemical Name:
Acetamide-2,2,2-d3, N-[4-(sulfooxy)phenyl]-
CAS Number:
1020718-78-8
Molecular Formula:
C8H6D3NO5S
Molecular Weight:
234.2442
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
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
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