7-Bromoisatin - CAS 20780-74-9

Catalog:	BB016291
Product Name:	7-Bromoisatin
CAS:	20780-74-9
Synonyms:	7-bromo-1H-indole-2,3-dione

Technical Data

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Computed Properties

IUPAC Name:	7-bromo-1H-indole-2,3-dione
Description:	7-Bromoisatin (CAS# 20780-74-9) is a useful research chemical.
Molecular Weight:	226.03
Molecular Formula:	C8H4BrNO2
Canonical SMILES:	C1=CC2=C(C(=C1)Br)NC(=O)C2=O
InChI:	InChI=1S/C8H4BrNO2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11/h1-3H,(H,10,11,12)
InChI Key:	OCVKSIWBTJCXPV-UHFFFAOYSA-N
Melting Point:	199 °C
Purity:	98 %
Density:	1.826 g/cm³
Appearance:	White to brown to red solid
MDL:	MFCD00774354
LogP:	1.72190

Publication Number	Title	Priority Date
CN-111777619-A	2-oxo spiro [ indoline-3, 4' -pyran ] ketone compound and synthesis method and application thereof	20200814
CN-111574426-A	Diamine monomer containing isoindigo structure and black polyimide synthesized from diamine monomer	20200527
CN-111187233-A	Polysubstituted benzothiazole and derivative and synthesis method thereof	20200118
CN-110964018-A	Indole derivative and application thereof	20191203
CN-110256407-A	One kind -3- hydroxyl oxoindole derivative of substitution containing pyrazolone and preparation method	20190628

PMID	Publication Date	Title	Journal
22363221	20120101	Marine compounds selectively induce apoptosis in female reproductive cancer cells but not in primary-derived human reproductive granulosa cells	Marine drugs
20056518	20100301	QSAR study of isatin analogues as in vitro anti-cancer agents	European journal of medicinal chemistry
19924760	20091201	Investigation of trypanothione reductase as a drug target in Trypanosoma brucei	ChemMedChem
17088067	20070115	In vitro cytotoxicity evaluation of some substituted isatin derivatives	Bioorganic & medicinal chemistry

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Related Functional Groups

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[116952-58-0]
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7-Methoxy-1H-indole-3-carbaldehyde
[2124-55-2]
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[15861-24-2]
Indole-5-carbonitrile

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[1187928-05-7]
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[1427475-17-9]
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[14204-27-4]
N-(Phenylthio)phthalimide
[261732-38-1]
N-Boc-5-bromoindoline

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GHS Hazard Statement:	H302 (86.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.94254
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	224.94254
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5