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1020719-78-1 | Benzene-2,3,5,6-d4-sulfonamide, 4-amino-N-2-pyrimidinyl-
CAS No: 1020719-78-1 Catalog No: AG0006K8 MDL No:
Product Description
Catalog Number:
AG0006K8
Chemical Name:
Benzene-2,3,5,6-d4-sulfonamide, 4-amino-N-2-pyrimidinyl-
CAS Number:
1020719-78-1
Molecular Formula:
C10H6D4N4O2S
Molecular Weight:
254.3016
IUPAC Name:
4-amino-2,3,5,6-tetradeuterio-N-pyrimidin-2-ylbenzenesulfonamide
InChI:
InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)/i2D,3D,4D,5D
InChI Key:
SEEPANYCNGTZFQ-QFFDRWTDSA-N
SMILES:
c1([2H])c([2H])c(N)c(c(c1S(=O)(=O)Nc1ncccn1)[2H])[2H]
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
4
Molecular Weight:
254.3g/mol
Monoisotopic Mass:
254.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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