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1015855-87-4 | 1H-Imidazole-2-methanol, 1-(methyl-d3)-5-nitro-, 2-carbamate
CAS No: 1015855-87-4 Catalog No: AG0004WD MDL No:
Product Description
Catalog Number:
AG0004WD
Chemical Name:
1H-Imidazole-2-methanol, 1-(methyl-d3)-5-nitro-, 2-carbamate
CAS Number:
1015855-87-4
Molecular Formula:
C6H5D3N4O4
Molecular Weight:
203.1706
IUPAC Name:
[5-nitro-1-(trideuteriomethyl)imidazol-2-yl]methyl carbamate
InChI:
InChI=1S/C6H8N4O4/c1-9-4(3-14-6(7)11)8-2-5(9)10(12)13/h2H,3H2,1H3,(H2,7,11)/i1D3
InChI Key:
PQFRTXSWDXZRRS-FIBGUPNXSA-N
SMILES:
NC(=O)OCc1ncc(n1C([2H])([2H])[2H])[N+](=O)[O-]
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.073g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
3
Molecular Weight:
203.172g/mol
Monoisotopic Mass:
203.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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