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1015855-75-0 | 1H-Imidazol-4,5-d2-2-amine, 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-4,5-d2-N-nitro-
CAS No: 1015855-75-0 Catalog No: AG0004WG MDL No:
Product Description
Catalog Number:
AG0004WG
Chemical Name:
1H-Imidazol-4,5-d2-2-amine, 1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydro-4,5-d2-N-nitro-
CAS Number:
1015855-75-0
Molecular Formula:
C9H6ClD4N5O2
Molecular Weight:
259.6856
IUPAC Name:
N-[1-[(6-chloropyridin-3-yl)methyl]-4,4,5,5-tetradeuterioimidazol-2-yl]nitramide
InChI:
InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)/i3D2,4D2
InChI Key:
YWTYJOPNNQFBPC-KHORGVISSA-N
SMILES:
[O-][N+](=O)NC1=NC(C(N1Cc1ccc(nc1)Cl)([2H])[2H])([2H])[2H]
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
4
Molecular Weight:
259.686g/mol
Monoisotopic Mass:
259.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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