methyl 7-(trifluoromethyl)-1H-indole-4-carboxylate


Chemical Name: methyl 7-(trifluoromethyl)-1H-indole-4-carboxylate
CAS Number: 1416438-70-4
Product Number: AG001GSI(AGN-PC-0JK1ID)
Synonyms:
MDL No:
Molecular Formula: C11H8F3NO2
Molecular Weight: 243.1819

Identification/Properties


Computed Properties
Molecular Weight:
243.185g/mol
XLogP3:
2.8
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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