1H-Indole-2-carboxylic acid, 5-(trifluoromethyl)-


Chemical Name: 1H-Indole-2-carboxylic acid, 5-(trifluoromethyl)-
CAS Number: 496946-78-2
Product Number: AG006YX5(AGN-PC-01GBBN)
Synonyms:
MDL No:
Molecular Formula: C10H6F3NO2
Molecular Weight: 229.1553

Identification/Properties


Computed Properties
Molecular Weight:
229.158g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
229.035g/mol
Monoisotopic Mass:
229.035g/mol
Topological Polar Surface Area:
53.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
292
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


NMR Spectrum


Other Analytical Data


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