4-Bromoperfluorotoluene

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CAS Number

17823-46-0

Synonyms

1-Bromo-2,3,5,6-tetrafluoro-4- (trifluoromethyl) benzene, 4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride

MDL Number

MFCD00075240

Purity

99%

Smiles

Fc1c(F)c(c(F)c(F)c1Br)C(F)(F)F

Chemical Information

4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride

CAS Number	17823-46-0
PubChem CID	626637
IUPAC Name	1-bromo-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
Molecular Formula	C7BrF7
Molecular Weight	296.97
XLogP	3.9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Heavy Atom Count	15
Formal Charge	0
Complexity	214

SMILES

C1(=C(C(=C(C(=C1F)F)Br)F)F)C(F)(F)F

InChI

InChI=1S/C7BrF7/c8-2-5(11)3(9)1(7(13,14)15)4(10)6(2)12

InChIKey

DONVNRFILRLHJB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17823-46-0

CID: 626637

Formula: C7BrF7

MW: 296.97

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	296.97
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	295.90716
Monoisotopic Mass	295.90716
Topological Polar Surface Area	0 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	214
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC5215	4,4,4,4',4',4'-Hexafluorovaline hydrochloride
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
OR1011273-01	4,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011275-01	4,4',4'',4'''-Methanetetrayltetraphenol
OR1011238-01	4,4,4,4-Silanetetrayltetrabenzaldehyde
PC4810-01	4,4,4,4',4',4'-Hexafluoro-DL-valine
PC450233-01	4,4,4,4',4',4'-Hexafluorovaline, ethyl ester
OR1001790-01	4,4',4'',4'''-Silanetetrayltetrabenzoic acid
OR1011274-01	4,4',4'',4'''-Methanetetrayltetrabenzoic Acid
IN11625	(4,4′,4′′,4′′′-Tetraaminophthalocyaninato) cobalt

Catalog	Name
HY-W099255-01	Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
25725310-100g	4,4'-Sulfonyldiphenol (4,4'-Dihydroxydiphenylsulfone)
AAA46134	4,4,4-Trifluorobutanamide
FT77427	4,4,4-Trifluorovaline
JH290997	4,4,4-Trifluorobutanal
sc-262190B	4,4,4-Trifluorobutyraldehyde
sc-262192A	4,4,4-Trifluorocrotonamide
sc-284451	4,4,4-Trifluorobutylamine
JXB85075-01	4,4,4-Trifluorobutanethioamide
433631-01	4,4',4''-Methanetriyltrianiline