Octanoic acid, 5-bromo-4-chloro-1H-indol-3-yl ester


Chemical Name: Octanoic acid, 5-bromo-4-chloro-1H-indol-3-yl ester
CAS Number: 129541-42-0
Product Number: AG000Z85(AGN-PC-0KXZ1D)
Synonyms:
MDL No:
Molecular Formula: C16H19BrClNO2
Molecular Weight: 372.6846

Identification/Properties


Computed Properties
Molecular Weight:
372.687g/mol
XLogP3:
6.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
8
Exact Mass:
371.029g/mol
Monoisotopic Mass:
371.029g/mol
Topological Polar Surface Area:
42.1A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
342
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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