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Home > Imidazoles > 1258639-89-2
1258639-89-2 | 4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-nitrobenzamide
CAS No: 1258639-89-2 Catalog No: AG01AB7F MDL No:MFCD17977103
Product Description
Catalog Number:
AG01AB7F
Chemical Name:
4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-nitrobenzamide
CAS Number:
1258639-89-2
Molecular Formula:
C12H12N4O5
Molecular Weight:
292.2475
MDL Number:
MFCD17977103
IUPAC Name:
4-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-nitrobenzamide
InChI:
InChI=1S/C12H12N4O5/c1-14-6-10(17)15(12(14)19)5-8-3-2-7(11(13)18)4-9(8)16(20)21/h2-4H,5-6H2,1H3,(H2,13,18)
InChI Key:
WXPPXTSPYJZZET-UHFFFAOYSA-N
SMILES:
CN1CC(=O)N(C1=O)Cc1ccc(cc1[N+](=O)[O-])C(=O)N
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.081g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.251g/mol
Monoisotopic Mass:
292.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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