7-Chloro-4-hydroxy-2H-chromen-2-one - CAS 18735-81-4

Catalog:	BB014419
Product Name:	7-Chloro-4-hydroxy-2H-chromen-2-one
CAS:	18735-81-4
Synonyms:	7-chloro-4-hydroxy-1-benzopyran-2-one; 7-chloro-4-hydroxychromen-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	7-chloro-4-hydroxychromen-2-one
Description:	7-Chloro-4-hydroxy-2H-chromen-2-one (CAS# 18735-81-4 ) is a useful research chemical.
Molecular Weight:	196.59
Molecular Formula:	C9H5ClO3
Canonical SMILES:	C1=CC2=C(C=C1Cl)OC(=O)C=C2O
InChI:	InChI=1S/C9H5ClO3/c10-5-1-2-6-7(11)4-9(12)13-8(6)3-5/h1-4,11H
InChI Key:	PKVBFOLFCIJRRE-UHFFFAOYSA-N
LogP:	2.15200

Publication Number	Title	Priority Date
US-2008153872-A1	Bis-(Coumarin) Compounds With Anti-Inflammatory Activity	20050114
CA-2533584-A1	Substituted furochromene compounds of antiinflammatory action	20030725
EP-1648901-A1	Substituted furochromene compounds of antiinflammatory action	20030725
JP-2006528619-A	Substituted furochromene compounds with anti-inflammatory activity	20030725
US-2006148890-A1	Substituted furochromene compounds of antiinflammatory action	20030725

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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