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Home > Imidazoles > 903821-75-0
903821-75-0 | 1-[(4-methylphenyl)methyl]-4-nitro-1H-imidazole
CAS No: 903821-75-0 Catalog No: AG019L3P MDL No:MFCD02029315
Product Description
Catalog Number:
AG019L3P
Chemical Name:
1-[(4-methylphenyl)methyl]-4-nitro-1H-imidazole
CAS Number:
903821-75-0
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD02029315
IUPAC Name:
1-[(4-methylphenyl)methyl]-4-nitroimidazole
InChI:
InChI=1S/C11H11N3O2/c1-9-2-4-10(5-3-9)6-13-7-11(12-8-13)14(15)16/h2-5,7-8H,6H2,1H3
InChI Key:
FODVRWXXURQQGO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Cn1cnc(c1)[N+](=O)[O-]
Properties
Complexity:
246
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:
1.7
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