tert-butyl 5-bromo-1,3-dihydroisoindole-2-carboxylate


Chemical Name: tert-butyl 5-bromo-1,3-dihydroisoindole-2-carboxylate
CAS Number: 201940-08-1
Product Number: AG0027WW(AGN-PC-00TORN)
Synonyms:
MDL No: MFCD09953049
Molecular Formula: C13H16BrNO2
Molecular Weight: 298.1756

Identification/Properties


Properties
MP:
54-56°C
BP:
354.7°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
298.18g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
297.036g/mol
Monoisotopic Mass:
297.036g/mol
Topological Polar Surface Area:
29.5A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
300
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:
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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