4-Chloro-7-hydroxy-2H-chromen-2-one - CAS 848939-31-1

Catalog:	BB037350
Product Name:	4-Chloro-7-hydroxy-2H-chromen-2-one
CAS:	848939-31-1
Synonyms:	4-chloro-7-hydroxy-1-benzopyran-2-one; 4-chloro-7-hydroxychromen-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	4-chloro-7-hydroxychromen-2-one
Description:	4-Chloro-7-hydroxy-2H-chromen-2-one (CAS# 848939-31-1 ) is a useful research chemical.
Molecular Weight:	196.59
Molecular Formula:	C9H5ClO3
Canonical SMILES:	C1=CC2=C(C=C1O)OC(=O)C=C2Cl
InChI:	InChI=1S/C9H5ClO3/c10-7-4-9(12)13-8-3-5(11)1-2-6(7)8/h1-4,11H
InChI Key:	MOFQRCFWIYGXAM-UHFFFAOYSA-N
LogP:	2.15200

Publication Number	Title	Priority Date
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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