3-Bromo-1-indanone - CAS 40774-41-2

Catalog:	BB024663
Product Name:	3-Bromo-1-indanone
CAS:	40774-41-2
Synonyms:	3-bromo-2,3-dihydroinden-1-one; 3-bromo-2,3-dihydroinden-1-one

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Computed Properties

IUPAC Name:	3-bromo-2,3-dihydroinden-1-one
Description:	3-Bromo-1-indanone (CAS# 40774-41-2) is a useful research chemical.
Molecular Weight:	211.06
Molecular Formula:	C9H7BrO
Canonical SMILES:	C1C(C2=CC=CC=C2C1=O)Br
InChI:	InChI=1S/C9H7BrO/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4,8H,5H2
InChI Key:	BSAIUCUXHVGXNK-UHFFFAOYSA-N
Boiling Point:	271.3 °C at 760 mmHg
Density:	1.631 g/cm³
MDL:	MFCD09800595
LogP:	2.70900

Publication Number	Title	Priority Date
CN-112645926-A	Sertraline derivative and preparation method and application thereof	20210104
KR-20180020362-A	Condensed cyclic compound and organic light-emitting device comprising the same	20160817
US-10090474-B2	Condensed-cyclic compound and organic light-emitting device including the same	20160817
US-2018053893-A1	Condensed-cyclic compound and organic light-emitting device including the same	20160817
CA-2914432-A1	Kinase inhibitors	20130606

PMID	Publication Date	Title	Journal
22590018	20120401	N-Cyclo-pentyl-N-(3-oxo-2,3-dihydro-1H-inden-1-yl)acetamide	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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Complexity:	178
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.96803
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	209.96803
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2