6,8-Difluorochroman-4-one - CAS 259655-01-1

Catalog:	BB019083
Product Name:	6,8-Difluorochroman-4-one
CAS:	259655-01-1
Synonyms:	6,8-difluoro-3,4-dihydro-2H-1-benzopyran-4-one; 6,8-difluoro-2,3-dihydrochromen-4-one

Technical Data

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Computed Properties

IUPAC Name:	6,8-difluoro-2,3-dihydrochromen-4-one
Description:	6,8-Difluorochroman-4-one (CAS# 259655-01-1) is a useful research chemical.
Molecular Weight:	184.14
Molecular Formula:	C9H6F2O2
Canonical SMILES:	C1COC2=C(C=C(C=C2C1=O)F)F
InChI:	InChI=1S/C9H6F2O2/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5/h3-4H,1-2H2
InChI Key:	IYQNYCVNEQXHGU-UHFFFAOYSA-N
MDL:	MFCD01764784
LogP:	1.93000

Publication Number	Title	Priority Date
EP-2681195-A1	Novel kinase inhibitors	20110304
JP-2014506917-A	Novel kinase inhibitor	20110304
US-2012225062-A1	Novel kinase inhibitors	20110304
WO-2012120428-A1	Novel kinase inhibitors	20110304
US-2010280025-A1	Equilibrative nucleoside transporter ent1 inhibitors	20071114

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6