4-Chloro-3-formylcoumarin - CAS 50329-91-4

Name: 4-Chloro-3-formylcoumarin
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027009
Product Name:	4-Chloro-3-formylcoumarin
CAS:	50329-91-4
Synonyms:	4-chloro-2-oxochromene-3-carbaldehyde

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Computed Properties

IUPAC Name:	4-chloro-2-oxochromene-3-carbaldehyde
Description:	4-Chloro-3-formylcoumarin (CAS# 50329-91-4) is a useful research chemical.
Molecular Weight:	208.60
Molecular Formula:	C10H5ClO3
Canonical SMILES:	C1=CC=C2C(=C1)C(=C(C(=O)O2)C=O)Cl
InChI:	InChI=1S/C10H5ClO3/c11-9-6-3-1-2-4-8(6)14-10(13)7(9)5-12/h1-5H
InChI Key:	CLLLQUGVEQADNN-UHFFFAOYSA-N
Boiling Point:	374.5 °C at 760 mmHg
Density:	1.47 g/cm³
Appearance:	Solid
MDL:	MFCD00179896
LogP:	2.25890

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[17746-05-3]C11H21ClO
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[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
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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
CN-112225745-A	Isopilasin compound with anti-tumor activity, preparation method and application	20201116
CN-112225745-B	Isopilasin compound with anti-tumor activity, preparation method and application	20201116
CN-110283181-B	Method for synthesizing coumarin [4,3-d ] pyrimidine derivative	20190531
CA-2982631-A1	Chromene derivatives as phosphoinositide 3-kinases inhibitors	20150416
CN-107454902-A	Chromene derivative as the kinase inhibitor of phosphoinositide 3	20150416

PMID	Publication Date	Title	Journal
22202437	20120115	Ultrasound mediated catalyst free synthesis of 6H-1-benzopyrano[4,3-b]quinolin-6-ones leading to novel quinoline derivatives: their evaluation as potential anti-cancer agents	Bioorganic & medicinal chemistry
22158652	20111212	Synthesis of new substituted chromen[4,3-c]pyrazol-4-ones and their antioxidant activities	Molecules (Basel, Switzerland)
21589052	20101020	4-[(4-Methyl-benz-yl)amino]-3-[(4-methyl-benz-yl)imino-meth-yl]-2H-chromen-2-one	Acta crystallographica. Section E, Structure reports online
16557324	20060407	Facile synthesis of chromeno[4,3-b]quinolin-6-ones from unexpected reactions of aryl isocyanides with 4-chloro-2-oxo-2H-chromene-3-carbaldehyde	Organic & biomolecular chemistry

Complexity:	309
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.9927217
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	207.9927217
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9