4-Chloro-6-methyl-2H-chromen-2-one - CAS 51069-75-1

Catalog:	BB027315
Product Name:	4-Chloro-6-methyl-2H-chromen-2-one
CAS:	51069-75-1
Synonyms:	4-chloro-6-methyl-1-benzopyran-2-one; 4-chloro-6-methylchromen-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	4-chloro-6-methylchromen-2-one
Description:	4-Chloro-6-methyl-2H-chromen-2-one (CAS# 51069-75-1 ) is a useful research chemical.
Molecular Weight:	194.61
Molecular Formula:	C10H7ClO2
Canonical SMILES:	CC1=CC2=C(C=C1)OC(=O)C=C2Cl
InChI:	InChI=1S/C10H7ClO2/c1-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-5H,1H3
InChI Key:	GTUCZSVDWDNQHV-UHFFFAOYSA-N
LogP:	2.75480

Publication Number	Title	Priority Date
EP-1671962-A1	Novel fused heterocyclic compound and use thereof	20031010
JP-WO2005035516-A1	Novel fused heterocyclic compounds and uses thereof	20031010
US-2007060595-A1	Novel fused heterocyclic compound and use thereof	20031010
WO-2005035516-A1	Novel fused heterocyclic compound and use thereof	20031010

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Related Functional Groups

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5-Bromoisochroman

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Complexity:	260
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.0134572
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.0134572
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6