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Home > Imidazoles > 303986-54-1
303986-54-1 | 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetonitrile
CAS No: 303986-54-1 Catalog No: AG00IVHA MDL No:MFCD01314587
Product Description
Catalog Number:
AG00IVHA
Chemical Name:
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetonitrile
CAS Number:
303986-54-1
Molecular Formula:
C12H9N3O3
Molecular Weight:
243.2182
MDL Number:
MFCD01314587
IUPAC Name:
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)acetonitrile
InChI:
InChI=1S/C12H9N3O3/c13-6-7-14-10(16)11(17)15(12(14)18)8-9-4-2-1-3-5-9/h1-5H,7-8H2
InChI Key:
ARIHSFZUYJKOJD-UHFFFAOYSA-N
SMILES:
N#CCN1C(=O)C(=O)N(C1=O)Cc1ccccc1
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.222g/mol
Monoisotopic Mass:
243.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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