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Home > Imidazoles > 113477-86-4
113477-86-4 | Benzonitrile, 4-[(2,5-dioxo-4-imidazolidinylidene)methyl]-
CAS No: 113477-86-4 Catalog No: AG0008PF MDL No:
Product Description
Catalog Number:
AG0008PF
Chemical Name:
Benzonitrile, 4-[(2,5-dioxo-4-imidazolidinylidene)methyl]-
CAS Number:
113477-86-4
Molecular Formula:
C11H7N3O2
Molecular Weight:
213.1922
IUPAC Name:
4-[(2,5-dioxoimidazolidin-4-ylidene)methyl]benzonitrile
InChI:
InChI=1S/C11H7N3O2/c12-6-8-3-1-7(2-4-8)5-9-10(15)14-11(16)13-9/h1-5H,(H2,13,14,15,16)
InChI Key:
OBTKOWGJCLQKMO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C=C1NC(=O)NC1=O
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.054g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.196g/mol
Monoisotopic Mass:
213.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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