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Home > Imidazoles > 1306198-75-3
1306198-75-3 | 3-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile
CAS No: 1306198-75-3 Catalog No: AG019YHR MDL No:MFCD13326127
Product Description
Catalog Number:
AG019YHR
Chemical Name:
3-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile
CAS Number:
1306198-75-3
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
MDL Number:
MFCD13326127
IUPAC Name:
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile
InChI:
InChI=1S/C12H11N3O2/c1-12(2)10(16)15(11(17)14-12)9-5-3-4-8(6-9)7-13/h3-6H,1-2H3,(H,14,17)
InChI Key:
PNJNHUUNDQZVQQ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)N1C(=O)NC(C1=O)(C)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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