methyl 6-(trifluoromethoxy)-1H-indole-2-carboxylate


Chemical Name: methyl 6-(trifluoromethoxy)-1H-indole-2-carboxylate
CAS Number: 1154319-87-5
Product Number: AG000FZG(AGN-PC-06M3WV)
Synonyms:
MDL No: MFCD12070772
Molecular Formula: C11H8F3NO3
Molecular Weight: 259.1813

Identification/Properties


Properties
BP:
326.1±37.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
259.184g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
259.046g/mol
Monoisotopic Mass:
259.046g/mol
Topological Polar Surface Area:
51.3A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
321
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-H317
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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