Home Nitriles 4-(2-oxo-1,3-diazinan-1-yl)benzonitrile

4-(2-oxo-1,3-diazinan-1-yl)benzonitrile

CAS No.:
163918-99-8
Catalog Number:
AG01B6K7
Molecular Formula:
C11H11N3O
Molecular Weight:
201.2245
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Product Description
Catalog Number:
AG01B6K7
Chemical Name:
4-(2-oxo-1,3-diazinan-1-yl)benzonitrile
CAS Number:
163918-99-8
Molecular Formula:
C11H11N3O
Molecular Weight:
201.2245
MDL Number:
MFCD23746559
IUPAC Name:
4-(2-oxo-1,3-diazinan-1-yl)benzonitrile
InChI:
InChI=1S/C11H11N3O/c12-8-9-2-4-10(5-3-9)14-7-1-6-13-11(14)15/h2-5H,1,6-7H2,(H,13,15)
InChI Key:
KOHLNECAEDCZHU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)N1CCCNC1=O
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.229g/mol
Monoisotopic Mass:
201.09g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties