Home Nitriles 3,4-Dihydro-2H-benzo[b][1,4]oxazine-2-carbonitrile

3,4-Dihydro-2H-benzo[b][1,4]oxazine-2-carbonitrile

CAS No.:
86267-86-9
Catalog Number:
AG008EZE
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
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Product Description
Catalog Number:
AG008EZE
Chemical Name:
3,4-Dihydro-2H-benzo[b][1,4]oxazine-2-carbonitrile
CAS Number:
86267-86-9
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD06200862
IUPAC Name:
3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile
InChI:
InChI=1S/C9H8N2O/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7,11H,6H2
InChI Key:
YSTANLOUKDVPGJ-UHFFFAOYSA-N
SMILES:
N#CC1CNc2c(O1)cccc2
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties