1H-Indole-2-carboxylic acid, 4-bromo-, ethyl ester


Chemical Name: 1H-Indole-2-carboxylic acid, 4-bromo-, ethyl ester
CAS Number: 103858-52-2
Product Number: AG00389C(AGN-PC-0NE0WC)
Synonyms:
MDL No:
Molecular Formula: C11H10BrNO2
Molecular Weight: 268.1066

Identification/Properties


Computed Properties
Molecular Weight:
268.11g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
266.989g/mol
Monoisotopic Mass:
266.989g/mol
Topological Polar Surface Area:
42.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
247
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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