Tert-butyl-4-bromoisoindoline-2-carboxylate


Chemical Name: Tert-butyl-4-bromoisoindoline-2-carboxylate
CAS Number: 1035235-27-8
Product Number: AG007XED(AGN-PC-088Q1R)
Synonyms:
MDL No:
Molecular Formula: C13H16BrNO2
Molecular Weight: 298.1756

Identification/Properties


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:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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