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1260676-89-8 | 1H-Indole-4-carboxylic acid, 2,3-dihydro-2-oxo-7-(trifluoromethyl)-, methyl ester
CAS No: 1260676-89-8 Catalog No: AG000R2R MDL No:MFCD16036424
Product Description
Catalog Number:
AG000R2R
Chemical Name:
1H-Indole-4-carboxylic acid, 2,3-dihydro-2-oxo-7-(trifluoromethyl)-, methyl ester
CAS Number:
1260676-89-8
Molecular Formula:
C11H8F3NO3
Molecular Weight:
259.1813
MDL Number:
MFCD16036424
IUPAC Name:
methyl 2-oxo-7-(trifluoromethyl)-1,3-dihydroindole-4-carboxylate
InChI:
InChI=1S/C11H8F3NO3/c1-18-10(17)5-2-3-7(11(12,13)14)9-6(5)4-8(16)15-9/h2-3H,4H2,1H3,(H,15,16)
InChI Key:
KOSKZAOZNPIPNG-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c2c1CC(=O)N2)C(F)(F)F
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.184g/mol
Monoisotopic Mass:
259.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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