3-Bromo-2-chromenone - CAS 939-18-4

Catalog:	BB041128
Product Name:	3-Bromo-2-chromenone
CAS:	939-18-4
Synonyms:	3-bromo-1-benzopyran-2-one; 3-bromochromen-2-one

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	3-bromochromen-2-one
Description:	3-Bromo-2-chromenone (CAS# 939-18-4) is a derivative of Coumarin (C755380) and can be used to sensitize the inactivation of viruses.
Molecular Weight:	225.04
Molecular Formula:	C9H5BrO2
Canonical SMILES:	C1=CC=C2C(=C1)C=C(C(=O)O2)Br
InChI:	InChI=1S/C9H5BrO2/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H
InChI Key:	DZCTYFCCOGXULA-UHFFFAOYSA-N
LogP:	2.55550

Publication Number	Title	Priority Date
CN-113024540-A	Preparation method and application of nonlinear compound with D-pi-A structure	20210311
CN-112375194-A	Response feedback type force-induced discoloration polymer material and preparation method thereof	20201117
CN-110885985-A	Preparation method of deuterated chemical	20191205
EP-3708339-A1	Jettable temporary binders to create removable support materials	20190315
US-2020290270-A1	Jettable Temporary Binders to Create Removable Support Materials	20190315

PMID	Publication Date	Title	Journal
21524121	20110617	A general copper powder-catalyzed Ullmann-type reaction of 3-halo-4(1H)-quinolones with various nitrogen-containing nucleophiles	The Journal of organic chemistry
21589081	20101023	4-Bromo-methyl-6-meth-oxy-2H-chromen-2-one	Acta crystallographica. Section E, Structure reports online
17326649	20070329	Development of a library of 6-arylcoumarins as candidate fluorescent sensors	Organic letters
12927379	20030828	Synthesis of N-acetyl-S-(3-coumarinyl)-cysteine methyl ester and HPLC analysis of urinary coumarin metabolites	Toxicology
12671713	20030407	3-Bromophenyl 6-acetoxymethyl-2-oxo-2H-1-benzopyran-3-carboxylate inhibits cancer cell invasion in vitro and tumour growth in vivo	British journal of cancer

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Related Functional Groups

Benzopyrans

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[493-05-0]
Isochroman
[83278-86-8]
2-(Hydroxymethyl)chromane
[4139-61-1]
6-Bromo-4-hydroxycoumarin
[182949-89-9]
5-Bromoisochroman
[256229-12-6]
3-(Aminomethyl)isochroman

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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:	2.8