Home Nitriles 4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile

4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile

CAS No.:
169808-00-8
Catalog Number:
AG019P22
Molecular Formula:
C11H9N3O2
Molecular Weight:
215.2081
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Product Description
Catalog Number:
AG019P22
Chemical Name:
4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile
CAS Number:
169808-00-8
Molecular Formula:
C11H9N3O2
Molecular Weight:
215.2081
MDL Number:
MFCD01937525
IUPAC Name:
4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzonitrile
InChI:
InChI=1S/C11H9N3O2/c1-11(9(15)13-10(16)14-11)8-4-2-7(6-12)3-5-8/h2-5H,1H3,(H2,13,14,15,16)
InChI Key:
NBPPTCRAKRHCOX-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1(C)NC(=O)NC1=O
Properties
Complexity:
376  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.069g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
215.212g/mol
Monoisotopic Mass:
215.069g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties