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144655-81-2 | Benzonitrile, 4-(2-oxo-1-imidazolidinyl)-
CAS No: 144655-81-2 Catalog No: AG001JYC MDL No:MFCD08689735
Product Description
Catalog Number:
AG001JYC
Chemical Name:
Benzonitrile, 4-(2-oxo-1-imidazolidinyl)-
CAS Number:
144655-81-2
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
MDL Number:
MFCD08689735
IUPAC Name:
4-(2-oxoimidazolidin-1-yl)benzonitrile
InChI:
InChI=1S/C10H9N3O/c11-7-8-1-3-9(4-2-8)13-6-5-12-10(13)14/h1-4H,5-6H2,(H,12,14)
InChI Key:
IPGJCVAKBVQPGF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)N1CCNC1=O
Properties
Complexity:
272
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
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