5,7-Difluorochroman-4-one - CAS 844648-22-2

Catalog:	BB037204
Product Name:	5,7-Difluorochroman-4-one
CAS:	844648-22-2
Synonyms:	5,7-difluoro-3,4-dihydro-2H-1-benzopyran-4-one; 5,7-difluoro-2,3-dihydrochromen-4-one

Technical Data

Patents

Computed Properties

IUPAC Name:	5,7-difluoro-2,3-dihydrochromen-4-one
Description:	5,7-Difluorochroman-4-one (CAS# 844648-22-2) is used as a reagent in the prepaation of tetrazolinone compounds,used as pest control agents.
Molecular Weight:	184.14
Molecular Formula:	C9H6F2O2
Canonical SMILES:	C1COC2=CC(=CC(=C2C1=O)F)F
InChI:	InChI=1S/C9H6F2O2/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5/h3-4H,1-2H2
InChI Key:	OJVRCPGUGZXUAP-UHFFFAOYSA-N
Boiling Point:	282.934 °C at 760 mmHg
Density:	1.393 g/cm³
LogP:	1.93000

Publication Number	Title	Priority Date
US-2021317079-A1	Tetralin and tetrahydroquinoline compounds as inhibitors of hif-2alpha	20200319
WO-2021188769-A1	Tetralin and tetrahydroquinoline compounds as inhibitors of hif-2alpha	20200319
CN-112851646-A	Preparation method of Tegolrazan	20191112
CN-109320485-B	Method for synthesizing Tegolazan chiral alcohol	20181202
KR-101894091-B1	New method for preparation of chromanone derivatives	20180123

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Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.03358575
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.03358575
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6