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13230-06-3 | 1H-Imidazole, 2-methyl-4-nitro-1-(phenylmethyl)-
CAS No: 13230-06-3 Catalog No: AG0010HW MDL No:
Product Description
Catalog Number:
AG0010HW
Chemical Name:
1H-Imidazole, 2-methyl-4-nitro-1-(phenylmethyl)-
CAS Number:
13230-06-3
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
IUPAC Name:
1-benzyl-2-methyl-4-nitroimidazole
InChI:
InChI=1S/C11H11N3O2/c1-9-12-11(14(15)16)8-13(9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChI Key:
WAFSMRYZKYAZJQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(c(n1)C)Cc1ccccc1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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