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


Chemical Name: 1H-Indole-1-carboxylic acid, 4-fluoro-, 1,1-dimethylethyl ester
CAS Number: 129822-45-3
Product Number: AG009CXA(AGN-PC-0027HU)
Synonyms:
MDL No:
Molecular Formula: C13H14FNO2
Molecular Weight: 235.2542

Identification/Properties


Computed Properties
Molecular Weight:
235.258g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
235.101g/mol
Monoisotopic Mass:
235.101g/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:
Danger
UN#:
2811
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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