Methyl 4-(trifluoromethyl)-1H-indole-2-carboxylate


Chemical Name: Methyl 4-(trifluoromethyl)-1H-indole-2-carboxylate
CAS Number: 1098340-27-2
Product Number: AG0096JW(AGN-PC-0WAMCT)
Synonyms:
MDL No: MFCD11655690
Molecular Formula: C11H8F3NO2
Molecular Weight: 243.1819

Identification/Properties


Computed Properties
Molecular Weight:
243.185g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
243.051g/mol
Monoisotopic Mass:
243.051g/mol
Topological Polar Surface Area:
42.1A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
306
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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