Organofluorine / Alfa Chemistry
6,7-Difluoro-1H-indole

6,7-Difluoro-1H-indole

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6,7-Difluoro-1H-indole
Catalog OFC271780848
CAS 271780-84-8
Category Fluorinated Indoles
Synonyms 6,7-difluoroindole
Purity 95%
MDL Number MFCD03095185
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Other Identifiers Chemical Data Computational Chemistry
IUPAC Name 6,7-difluoro-1H-indole
InChI InChI=1S/C8H5F2N/c9-6-2-1-5-3-4-11-8(5)7(6)10/h1-4,11H
InChI Key SEHXAAULCXHFQO-UHFFFAOYSA-N
Isomeric SMILES C1=CC(=C(C2=C1C=CN2)F)F
Molecular Formula C8H5F2N
Molecular Weight 153.13
Storage Sealed in dry, 2-8 °C
XLogP3-AA 2.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 153.03900549 g/mol
Monoisotopic Mass 153.03900549 g/mol
Topological Polar Surface Area 15.8Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 151

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