1H-Indole-2-carboxylic acid, 6-chloro-, ethyl ester


Chemical Name: 1H-Indole-2-carboxylic acid, 6-chloro-, ethyl ester
CAS Number: 27034-51-1
Product Number: AG003QDH(AGN-PC-0LW6GM)
Synonyms:
MDL No: MFCD03084731
Molecular Formula: C11H10ClNO2
Molecular Weight: 223.6556

Identification/Properties


Properties
MP:
169 - 171 °C
BP:
375°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
223.656g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
223.04g/mol
Monoisotopic Mass:
223.04g/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:
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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