5-Chloro-4-hydroxy-2H-chromen-2-one - CAS 54311-48-7

Catalog:	BB028595
Product Name:	5-Chloro-4-hydroxy-2H-chromen-2-one
CAS:	54311-48-7
Synonyms:	5-chloro-4-hydroxy-1-benzopyran-2-one; 5-chloro-4-hydroxychromen-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	5-chloro-4-hydroxychromen-2-one
Description:	5-Chloro-4-hydroxy-2H-chromen-2-one (CAS# 54311-48-7 ) is a useful research chemical.
Molecular Weight:	196.59
Molecular Formula:	C9H5ClO3
Canonical SMILES:	C1=CC2=C(C(=C1)Cl)C(=CC(=O)O2)O
InChI:	InChI=1S/C9H5ClO3/c10-5-2-1-3-7-9(5)6(11)4-8(12)13-7/h1-4,11H
InChI Key:	IEAZCJCNBVWFII-UHFFFAOYSA-N
LogP:	2.15200

Publication Number	Title	Priority Date
EP-1667988-A1	Coumarins as inos inhibitors	20030905
EP-1667988-B1	Coumarins as inos inhibitors	20030905
JP-2007504234-A	Coumarins as iNOS inhibitors	20030905
JP-4705575-B2	Coumarins as iNOS inhibitors	20030905
US-2005054681-A1	Coumarins as iNOS inhibitors	20030905

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Related Functional Groups

Benzopyrans

[493-05-0]
Isochroman
[1429939-32-1]
[20-Bis(4-methylphenyl)phosphanyl-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,16(21),17,19-hexaen-4-yl]-bis(4-methylphenyl)phosphane
[1360823-43-3]
(20-Diphenylphosphanyl-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,16(21),17,19-hexaen-4-yl)-diphenylphosphane
[256229-12-6]
3-(Aminomethyl)isochroman
[66892-34-0]
6-Fluoro-4-chromanone
[18735-82-5]
7-Bromo-4-hydroxy-2H-chromen-2-one

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Complexity:	262
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.9927217
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	195.9927217
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9