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1-Bromo-2,4,5-trifluoro-3-methylbenzene

1-Bromo-2,4,5-trifluoro-3-methylbenzene - CAS 112822-82-9

Catalog:	BB003051
Product Name:	1-Bromo-2,4,5-trifluoro-3-methylbenzene
CAS:	112822-82-9
Synonyms:	1-bromo-2,4,5-trifluoro-3-methylbenzene; 1-bromo-2,4,5-trifluoro-3-methylbenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-bromo-2,4,5-trifluoro-3-methylbenzene
Description:	1-Bromo-2,4,5-trifluoro-3-methylbenzene (CAS# 112822-82-9 ) is a useful research chemical.
Molecular Weight:	225.01
Molecular Formula:	C7H4BrF3
Canonical SMILES:	CC1=C(C(=CC(=C1F)Br)F)F
InChI:	InChI=1S/C7H4BrF3/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,1H3
InChI Key:	MARJTTMEOKZEQJ-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
LogP:	3.17480

Publication Number	Title	Priority Date
US-2009247478-A1	Novel macrolides and ketolides having antimicrobial activity	20060824
US-8097594-B2	Macrolides and ketolides having antimicrobial activity	20060824
EP-1611104-A1	Tetrahydroisoquinolyl acetamide derivatives for use as orexin receptor antagonists	20030326
US-2006178515-A1	Tetrahydroisoquinolyl acetamide derivatives for use as orexin receptor antagonists	20030326
WO-2004085403-A1	Tetrahydroisoquinolyl acetamide derivatives for use as orexin receptor antagonists	20030326

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Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.94485
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	223.94485
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3