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1015855-83-0 | 1H-Imidazole, 1-(methyl-d3)-2-(1-methylethyl)-5-nitro-
CAS No: 1015855-83-0 Catalog No: AG0004WE MDL No:
Product Description
Catalog Number:
AG0004WE
Chemical Name:
1H-Imidazole, 1-(methyl-d3)-2-(1-methylethyl)-5-nitro-
CAS Number:
1015855-83-0
Molecular Formula:
C7H8D3N3O2
Molecular Weight:
172.1996
IUPAC Name:
5-nitro-2-propan-2-yl-1-(trideuteriomethyl)imidazole
InChI:
InChI=1S/C7H11N3O2/c1-5(2)7-8-4-6(9(7)3)10(11)12/h4-5H,1-3H3/i3D3
InChI Key:
NTAFJUSDNOSFFY-HPRDVNIFSA-N
SMILES:
CC(c1ncc(n1C([2H])([2H])[2H])[N+](=O)[O-])C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.104g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
3
Molecular Weight:
172.202g/mol
Monoisotopic Mass:
172.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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