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1-Bromo-2-(difluoromethoxy)-4-fluorobenzene

1-Bromo-2-(difluoromethoxy)-4-fluorobenzene - CAS 954235-83-7

Catalog:	BB041712
Product Name:	1-Bromo-2-(difluoromethoxy)-4-fluorobenzene
CAS:	954235-83-7
Synonyms:	1-bromo-2-(difluoromethoxy)-4-fluorobenzene; 1-bromo-2-(difluoromethoxy)-4-fluorobenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-bromo-2-(difluoromethoxy)-4-fluorobenzene
Description:	1-Bromo-2-(difluoromethoxy)-4-fluorobenzene (CAS# 954235-83-7) is a useful research chemical.
Molecular Weight:	241.01
Molecular Formula:	C7H4BrF3O
Canonical SMILES:	C1=CC(=C(C=C1F)OC(F)F)Br
InChI:	InChI=1S/C7H4BrF3O/c8-5-2-1-4(9)3-6(5)12-7(10)11/h1-3,7H
InChI Key:	BZXMUSAMMGLTMI-UHFFFAOYSA-N
MDL:	MFCD11036070
LogP:	3.18960

Publication Number	Title	Priority Date
WO-2021115335-A1	Compound as cyclin-dependent kinase 9 inhibitor and use thereof	20191209
US-2021198241-A1	Substituted tetrahydrofurans as modulators of sodium channels	20191206
WO-2021113627-A1	Substituted tetrahydrofurans as modulators of sodium channels	20191206
US-2020102288-A1	Wdr5 inhibitors and modulators	20180614
US-10844044-B2	WDR5 inhibitors and modulators	20180614

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Complexity:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.93976
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	239.93976
Rotatable Bond Count:	2
Topological Polar Surface Area:	9.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6