3-(2-bromopropanoyl)spiro[1,3-benzoxazine-2,1'-cyclohexane]-4-one


Chemical Name: 3-(2-bromopropanoyl)spiro[1,3-benzoxazine-2,1'-cyclohexane]-4-one
CAS Number: 158299-05-9
Product Number: AG001Q36(AGN-PC-0N2STB)
Synonyms:
MDL No:
Molecular Formula: C16H18BrNO3
Molecular Weight: 352.2230

Identification/Properties


Computed Properties
Molecular Weight:
352.228g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
351.047g/mol
Monoisotopic Mass:
351.047g/mol
Topological Polar Surface Area:
46.6A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
433
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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