7-Bromo-5-fluoroisatin - CAS 380431-78-7

Catalog:	BB023516
Product Name:	7-Bromo-5-fluoroisatin
CAS:	380431-78-7
Synonyms:	7-bromo-5-fluoro-1H-indole-2,3-dione; 7-bromo-5-fluoro-1H-indole-2,3-dione

Technical Data

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Computed Properties

IUPAC Name:	7-bromo-5-fluoro-1H-indole-2,3-dione
Description:	7-Bromo-5-fluoroisatin (CAS# 380431-78-7) is a useful research chemical.
Molecular Weight:	244.02
Molecular Formula:	C8H3BrFNO2
Canonical SMILES:	C1=C(C=C2C(=C1Br)NC(=O)C2=O)F
InChI:	InChI=1S/C8H3BrFNO2/c9-5-2-3(10)1-4-6(5)11-8(13)7(4)12/h1-2H,(H,11,12,13)
InChI Key:	FJHYUPXMQAWNNB-UHFFFAOYSA-N
Density:	1.907 g/cm³
LogP:	1.86100

Publication Number	Title	Priority Date
WO-2015126149-A1	Isatin derivative and method for preparing same	20140218
JP-2013107855-A	Pharmaceutical composition	20111122
JP-2013177321-A	New quinazoline compound	20101209
JP-2013177316-A	Novel quinazoline compound	20100524
TW-201202230-A	Novel quinazoline compound	20100524

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	271
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.93312
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	242.93312
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5