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2-Bromo-4,6-difluoroiodobenzene

2-Bromo-4,6-difluoroiodobenzene - CAS 175278-11-2

Catalog:	BB013115
Product Name:	2-Bromo-4,6-difluoroiodobenzene
CAS:	175278-11-2
Synonyms:	1-bromo-3,5-difluoro-2-iodobenzene; 1-bromo-3,5-difluoro-2-iodobenzene

Technical Data

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Computed Properties

IUPAC Name:	1-bromo-3,5-difluoro-2-iodobenzene
Description:	1-Bromo-3,5-difluoro-2-iodobenzene can be used as reactant/reagent in preparation of (aza)pyridopyrazolopyrimidinones and indazolopyrimidinones as inhibitors of plasminogen and their use for treating or preventing diseases.
Molecular Weight:	318.89
Molecular Formula:	C6H2BrF2I
Canonical SMILES:	C1=C(C=C(C(=C1F)I)Br)F
InChI:	InChI=1S/C6H2BrF2I/c7-4-1-3(8)2-5(9)6(4)10/h1-2H
InChI Key:	KJJGFGWQNCPZBG-UHFFFAOYSA-N
Boiling Point:	103 °C
Density:	2.342 g/cm³
LogP:	3.33190

Publication Number	Title	Priority Date
US-2021299100-A1	Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors	20200316
WO-2021186324-A1	Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors	20200316
WO-2020047207-A1	Inhibitors of (alpha-v)(beta-6) integrin	20180829
CN-112105605-A	Substituted cyclohexyl compounds as NOP inhibitors	20180228
EP-3759085-A1	Substituted cyclohexyl compounds as nop inhibitors	20180228

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GHS Hazard Statement:	H302 (50%): 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:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	317.83527
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	317.83527
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5