Home Nitriles 3-(2-oxoimidazolidin-1-yl)benzonitrile

3-(2-oxoimidazolidin-1-yl)benzonitrile

CAS No.:
62868-34-2
Catalog Number:
AG01BF5F
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
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Product Description
Catalog Number:
AG01BF5F
Chemical Name:
3-(2-oxoimidazolidin-1-yl)benzonitrile
CAS Number:
62868-34-2
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
MDL Number:
MFCD23746548
IUPAC Name:
3-(2-oxoimidazolidin-1-yl)benzonitrile
InChI:
InChI=1S/C10H9N3O/c11-7-8-2-1-3-9(6-8)13-5-4-12-10(13)14/h1-3,6H,4-5H2,(H,12,14)
InChI Key:
UXXIHDNWWGDWOT-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)N1CCNC1=O
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.075g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.202g/mol
Monoisotopic Mass:
187.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties