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

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

CAS No.:
208709-23-3
Catalog Number:
AG019MRL
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
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Product Description
Catalog Number:
AG019MRL
Chemical Name:
4-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile
CAS Number:
208709-23-3
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD01833231
IUPAC Name:
4-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile
InChI:
InChI=1S/C10H8N2O2/c11-7-8-1-3-9(4-2-8)12-5-6-14-10(12)13/h1-4H,5-6H2
InChI Key:
NOGQVHPYVQQIIJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)N1CCOC1=O
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties