6-Fluoroisatin - CAS 324-03-8

Catalog:	BB021284
Product Name:	6-Fluoroisatin
CAS:	324-03-8
Synonyms:	6-fluoro-1H-indole-2,3-dione; 6-fluoro-1H-indole-2,3-dione

Technical Data

Patents

Computed Properties

IUPAC Name:	6-fluoro-1H-indole-2,3-dione
Description:	6-Fluoroisatin (CAS# 324-03-8) is a useful research chemical.
Molecular Weight:	165.12
Molecular Formula:	C8H4FNO2
Canonical SMILES:	C1=CC2=C(C=C1F)NC(=O)C2=O
InChI:	InChI=1S/C8H4FNO2/c9-4-1-2-5-6(3-4)10-8(12)7(5)11/h1-3H,(H,10,11,12)
InChI Key:	CWVFOAVBTUHQCZ-UHFFFAOYSA-N
Density:	1.477 g/cm³
LogP:	1.09850

Publication Number	Title	Priority Date
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Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.02260653
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	165.02260653
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7