6-Bromo-4-chloro-3-formylcoumarin - CAS 51069-90-0

Name: 6-Bromo-4-chloro-3-formylcoumarin
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027319
Product Name:	6-Bromo-4-chloro-3-formylcoumarin
CAS:	51069-90-0
Synonyms:	6-bromo-4-chloro-2-oxochromene-3-carbaldehyde

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Computed Properties

IUPAC Name:	6-bromo-4-chloro-2-oxochromene-3-carbaldehyde
Description:	6-Bromo-4-chloro-3-formylcoumarin (CAS# 51069-90-0 ) is a useful research chemical.
Molecular Weight:	287.49
Molecular Formula:	C10H4BrClO3
Canonical SMILES:	C1=CC2=C(C=C1Br)C(=C(C(=O)O2)C=O)Cl
InChI:	InChI=1S/C10H4BrClO3/c11-5-1-2-8-6(3-5)9(12)7(4-13)10(14)15-8/h1-4H
InChI Key:	IODFACUSJKQFGW-UHFFFAOYSA-N
Boiling Point:	425 °C at 760 mmHg
Density:	1.85 g/cm³
MDL:	MFCD02683800
LogP:	3.02140

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Carbonyl Compounds

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1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416
KR-101085970-B1	Composition for preventing or treating gastrointestinal diseases, containing coumarin derivative as an active ingredient	20081125
KR-20100059036-A	Composition for preventing or treating gastrointestinal diseases, containing coumarin derivative as an active ingredient	20081125
EP-2114410-B1	N-amino tetrahydrothiazine derivatives, method of manufacture and use	20070124

Complexity:	340
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	285.90323
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	285.90323
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6