tert-butyl 6-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate


Chemical Name: tert-butyl 6-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CAS Number: 690632-38-3
Product Number: AG006DJH(AGN-PC-0KL739)
Synonyms:
MDL No:
Molecular Formula: C18H22BrNO4
Molecular Weight: 396.2756

Identification/Properties


Properties
MP:
140 - 143 °C
BP:
501.3±50.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
396.281g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
395.073g/mol
Monoisotopic Mass:
395.073g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
508
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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