2-Bromo-6-iodotoluene - CAS 97456-81-0

Catalog:	BB042054
Product Name:	2-Bromo-6-iodotoluene
CAS:	97456-81-0
Synonyms:	1-bromo-3-iodo-2-methylbenzene; 1-bromo-3-iodo-2-methylbenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-bromo-3-iodo-2-methylbenzene
Description:	2-Bromo-6-iodotoluene (CAS# 97456-81-0) is a useful research chemical.
Molecular Weight:	296.93
Molecular Formula:	C7H6BrI
Canonical SMILES:	CC1=C(C=CC=C1I)Br
InChI:	InChI=1S/C7H6BrI/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
InChI Key:	DAHKMTOSYFBPOX-UHFFFAOYSA-N
Storage:	Keep in dark place, Sealed in dry, 2-8 °C
LogP:	3.36210

Publication Number	Title	Priority Date
CN-113072551-A	Nitrogen-containing biphenyl derivative inhibitor, preparation method and application thereof	20200103
US-2021106588-A1	Bicyclic heterocycles as fgfr inhibitors	20191014
WO-2021076602-A1	Bicyclic heterocycles as fgfr inhibitors	20191014
WO-2021047547-A1	Novel tricyclic aromatic heterocyclic compound, preparation method therefor, pharmaceutical composition and application thereof	20190909
WO-2021047556-A1	Nitrogen-containing heterocyclic compound, and preparation method therefor, pharmaceutical composition comprising same and use thereof	20190909

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Complexity:	94.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	295.86976
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	295.86976
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6