1H-Indole-2,3-dione, 7-(trifluoromethoxy)-


Chemical Name: 1H-Indole-2,3-dione, 7-(trifluoromethoxy)-
CAS Number: 149125-30-4
Product Number: AG001LEL(AGN-PC-00T13D)
Synonyms:
MDL No: MFCD06804535
Molecular Formula: C9H4F3NO3
Molecular Weight: 231.1282

Identification/Properties


Computed Properties
Molecular Weight:
231.13g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
231.014g/mol
Monoisotopic Mass:
231.014g/mol
Topological Polar Surface Area:
55.4A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
329
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

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NMR Spectrum


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