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2,6-Dibromo-4-(trifluoromethyl)toluene

2,6-Dibromo-4-(trifluoromethyl)toluene - CAS 231953-31-4

Catalog:	BB017976
Product Name:	2,6-Dibromo-4-(trifluoromethyl)toluene
CAS:	231953-31-4
Synonyms:	1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene; 1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene
Description:	2,6-Dibromo-4-(trifluoromethyl)toluene (CAS# 231953-31-4 ) is a useful research chemical.
Molecular Weight:	317.93
Molecular Formula:	C8H5Br2F3
Canonical SMILES:	CC1=C(C=C(C=C1Br)C(F)(F)F)Br
InChI:	InChI=1S/C8H5Br2F3/c1-4-6(9)2-5(3-7(4)10)8(11,12)13/h2-3H,1H3
InChI Key:	PYNWLQMFGMGAHM-UHFFFAOYSA-N
LogP:	4.53880

Publication Number	Title	Priority Date
EP-3719015-A1	Substituted pyrimidine compound and preparation method therefor and use thereof	20171129
WO-2018072736-A1	Pyridazinone compound and application thereof	20161020
EP-3299366-A1	Substituted pyrazole compounds containing pyrimidine and preparation method and use thereof	20150518
EP-3299366-B1	Substituted pyrazole compounds containing pyrimidine and preparation method and use thereof as pesticides	20150518
EP-3081565-A1	Pyrazolyl pyrimidinamine compound and application thereof	20131213

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Complexity:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	317.86896
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	315.87101
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6