Organofluorine / Alfa Chemistry
6-Chloro-4-fluoro-1H-indole

6-Chloro-4-fluoro-1H-indole

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6-Chloro-4-fluoro-1H-indole
Catalog OFC885520887
CAS 885520-88-7
Category Fluorinated Indoles
Synonyms 6-Chloro-4-fluoroindole
Purity 97%
MDL Number MFCD07781560
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Other Identifiers Chemical Data Computational Chemistry
IUPAC Name 6-chloro-4-fluoro-1H-indole
InChI InChI=1S/C8H5ClFN/c9-5-3-7(10)6-1-2-11-8(6)4-5/h1-4,11H
InChI Key AXUAWQLKXCWJDV-UHFFFAOYSA-N
Isomeric SMILES C1=CNC2=C1C(=CC(=C2)Cl)F
Molecular Formula C8H5ClFN
Molecular Weight 169.58
XLogP3-AA 2.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 169.0094550 g/mol
Monoisotopic Mass 169.0094550 g/mol
Topological Polar Surface Area 15.8Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 153

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