3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile


Chemical Name: 3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile
CAS Number: 86267-86-9
Product Number: AG008EZE(AGN-PC-0KL7KS)
Synonyms:
MDL No:
Molecular Formula: C9H8N2O
Molecular Weight: 160.1726

Identification/Properties


Computed Properties
Molecular Weight:
160.176g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
160.064g/mol
Monoisotopic Mass:
160.064g/mol
Topological Polar Surface Area:
45A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
208
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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