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6-Bromo-2,3-difluoroanisole

6-Bromo-2,3-difluoroanisole - CAS 888318-22-7

Catalog:	BB039267
Product Name:	6-Bromo-2,3-difluoroanisole
CAS:	888318-22-7
Synonyms:	1-bromo-3,4-difluoro-2-methoxybenzene; 1-bromo-3,4-difluoro-2-methoxybenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-bromo-3,4-difluoro-2-methoxybenzene
Description:	6-Bromo-2,3-difluoroanisole (CAS# 888318-22-7) is a useful research chemical.
Molecular Weight:	223.01
Molecular Formula:	C7H5BrF2O
Canonical SMILES:	COC1=C(C=CC(=C1F)F)Br
InChI:	InChI=1S/C7H5BrF2O/c1-11-7-4(8)2-3-5(9)6(7)10/h2-3H,1H3
InChI Key:	DNXSLLIDTGLIHX-UHFFFAOYSA-N
LogP:	2.73590

Publication Number	Title	Priority Date
US-2021198241-A1	Substituted tetrahydrofurans as modulators of sodium channels	20191206
WO-2021113627-A1	Substituted tetrahydrofurans as modulators of sodium channels	20191206
US-2020163953-A1	Compounds for Inhibition of Alpha 4 Beta 7 Integrin	20181030
WO-2020092401-A1	COMPOUNDS FOR INHIBITION OF ALPHA 4Î²7 INTEGRIN	20181030
TW-202033491-A	Compounds for inhibition of Î±4Î²7 integrin	20181030

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Complexity:	134
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.94918
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	221.94918
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8