Organofluorine / Alfa Chemistry
5-Chloro-6-(trifluoromethyl)-1H-indole

5-Chloro-6-(trifluoromethyl)-1H-indole

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5-Chloro-6-(trifluoromethyl)-1H-indole
Catalog OFC1186404603
CAS 1186404-60-3
Category Fluorinated Indoles
Purity 95%
MDL Number MFCD03094972
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Other Identifiers Chemical Data Computational Chemistry
IUPAC Name 5-chloro-6-(trifluoromethyl)-1H-indole
InChI InChI=1S/C9H5ClF3N/c10-7-3-5-1-2-14-8(5)4-6(7)9(11,12)13/h1-4,14H
InChI Key VLLFFZSKKBGBRG-UHFFFAOYSA-N
Isomeric SMILES C1=CNC2=CC(=C(C=C21)Cl)C(F)(F)F
Molecular Formula C9H5ClF3N
Molecular Weight 219.59
Melting Point 75-77 °C
XLogP3-AA 3.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 219.0062613 g/mol
Monoisotopic Mass 219.0062613 g/mol
Topological Polar Surface Area 15.8Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 219

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