Home Nitriles 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile

2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile

CAS No.:
923191-32-6
Catalog Number:
AG019K92
Molecular Formula:
C11H9N3O2
Molecular Weight:
215.2081
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Product Description
Catalog Number:
AG019K92
Chemical Name:
2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
CAS Number:
923191-32-6
Molecular Formula:
C11H9N3O2
Molecular Weight:
215.2081
MDL Number:
MFCD08691174
IUPAC Name:
2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
InChI:
InChI=1S/C11H9N3O2/c12-5-8-3-1-2-4-9(8)7-14-10(15)6-13-11(14)16/h1-4H,6-7H2,(H,13,16)
InChI Key:
CSMCQQCRZAHGAJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1CN1C(=O)CNC1=O
Properties
Complexity:
358  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
215.212g/mol
Monoisotopic Mass:
215.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties