4-Bromo-2H-chromen-2-one - CAS 938-40-9

Catalog:	BB041096
Product Name:	4-Bromo-2H-chromen-2-one
CAS:	938-40-9
Synonyms:	4-bromo-1-benzopyran-2-one; 4-bromochromen-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	4-bromochromen-2-one
Description:	4-Bromo-2H-chromen-2-one (CAS# 938-40-9 ) is a useful research chemical.
Molecular Weight:	225.04
Molecular Formula:	C9H5BrO2
Canonical SMILES:	C1=CC=C2C(=C1)C(=CC(=O)O2)Br
InChI:	InChI=1S/C9H5BrO2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H
InChI Key:	CSMSWYXPXRIHBY-UHFFFAOYSA-N
LogP:	2.55550

Publication Number	Title	Priority Date
US-2021147386-A1	Pyrrolidine and piperidine compounds	20191106
WO-2021090245-A1	Pyrrolidine and piperidine compounds	20191106
CN-112574159-A	Coumarin derivatives and analogs, and preparation method and application thereof	20190929
WO-2020028396-A1	Chirality sensing with molecular click chemistry probes	20180730
AU-2016327715-A1	4-substitued coumarin derivative, and preparation method and use thereof	20150924

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Related Functional Groups

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(2R)-6-Bromo-2,3-dihydro-2-phenyl-4H-1-benzopyran-4-one
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2-(Hydroxymethyl)chromane

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Complexity:	235
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.94729
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	223.94729
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3