1H-Indole-1-carboxylic acid, 4-bromo-, 1,1-dimethylethyl ester


Chemical Name: 1H-Indole-1-carboxylic acid, 4-bromo-, 1,1-dimethylethyl ester
CAS Number: 676448-17-2
Product Number: AG005R18(AGN-PC-05W4E4)
Synonyms:
MDL No:
Molecular Formula: C13H14BrNO2
Molecular Weight: 296.1598

Identification/Properties


Properties
MP:
183 - 185°C
BP:
367.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
296.164g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
295.021g/mol
Monoisotopic Mass:
295.021g/mol
Topological Polar Surface Area:
31.2A^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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