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

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

CAS No.:
1499904-52-7
Catalog Number:
AG01B70L
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
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Product Description
Catalog Number:
AG01B70L
Chemical Name:
4-(2-oxo-1,3-oxazinan-3-yl)benzonitrile
CAS Number:
1499904-52-7
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD22720546
IUPAC Name:
4-(2-oxo-1,3-oxazinan-3-yl)benzonitrile
InChI:
InChI=1S/C11H10N2O2/c12-8-9-2-4-10(5-3-9)13-6-1-7-15-11(13)14/h2-5H,1,6-7H2
InChI Key:
OMTVZGGXKLBGQH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)N1CCCOC1=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:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties