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565174-36-9 | 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
CAS No: 565174-36-9 Catalog No: AG019K9N MDL No:MFCD03986116
Product Description
Catalog Number:
AG019K9N
Chemical Name:
4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
CAS Number:
565174-36-9
Molecular Formula:
C11H9N3O2
Molecular Weight:
215.2081
MDL Number:
MFCD03986116
IUPAC Name:
4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
InChI:
InChI=1S/C11H9N3O2/c12-5-8-1-3-9(4-2-8)7-14-10(15)6-13-11(14)16/h1-4H,6-7H2,(H,13,16)
InChI Key:
DGRMGFWJQPHVGO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CN1C(=O)CNC1=O
Properties
Complexity:
350
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
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