5-Bromo-2-methylisoindolin-1-one - CAS 868066-91-5

Name: 5-Bromo-2-methylisoindolin-1-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB038066
Product Name:	5-Bromo-2-methylisoindolin-1-one
CAS:	868066-91-5
Synonyms:	5-bromo-2-methyl-3H-isoindol-1-one; 5-bromo-2-methyl-3H-isoindol-1-one

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromo-2-methyl-3H-isoindol-1-one
Description:	5-Bromo-2-methylisoindolin-1-one (CAS# 868066-91-5) is a useful research chemical.
Molecular Weight:	226.07
Molecular Formula:	C9H8BrNO
Canonical SMILES:	CN1CC2=C(C1=O)C=CC(=C2)Br
InChI:	InChI=1S/C9H8BrNO/c1-11-5-6-4-7(10)2-3-8(6)9(11)12/h2-4H,5H2,1H3
InChI Key:	WRFZBWHXIGUNLQ-UHFFFAOYSA-N
Boiling Point:	356.2 °C at 760 mmHg
Density:	1.589 g/cm³
LogP:	1.97260

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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Publication Number	Title	Priority Date
CN-111732548-A	N2-carbamyl aromatic ring-2-aminopyrimidine derivatives and medical application thereof	20200611
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WO-2021067606-A1	Brm targeting compounds and associated methods of use	20191001
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Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.97893
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	224.97893
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6