4-Hydroxynonafluorobiphenyl

CAT: 0127-PC10608-01Size: 2 gDry Ice: NoHazardous: No

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CAT#:0127-PC10608-01Size:2 g

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CAS Number

2894-87-3

MDL Number

MFCD00134468

Purity

95%

Smiles

Oc1c(F)c(F)c(c(F)c1F)c2c(F)c(F)c(F)c(F)c2F

Chemical Information

2,3,5,6-Tetrafluoro-4-(pentafluorophenyl)phenol

CAS Number	2894-87-3
PubChem CID	2783336
IUPAC Name	2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenol
Molecular Formula	C12HF9O
Molecular Weight	332.12
XLogP	4.1
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	1
Heavy Atom Count	22
Formal Charge	0
Complexity	367

SMILES

C1(=C(C(=C(C(=C1F)F)O)F)F)C2=C(C(=C(C(=C2F)F)F)F)F

InChI

InChI=1S/C12HF9O/c13-3-1(4(14)8(18)9(19)7(3)17)2-5(15)10(20)12(22)11(21)6(2)16/h22H

InChIKey

MLXJPZBMOLLESC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2894-87-3

CID: 2783336

Formula: C12HF9O

MW: 332.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	332.12
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	1
Exact Mass	331.98836811
Monoisotopic Mass	331.98836811
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	367
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
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
PC5215	4,4,4,4',4',4'-Hexafluorovaline hydrochloride
OR1011275-01	4,4',4'',4'''-Methanetetrayltetraphenol
OR1011273-01	4,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011238-01	4,4,4,4-Silanetetrayltetrabenzaldehyde
PC450233-01	4,4,4,4',4',4'-Hexafluorovaline, ethyl ester
PC4810-01	4,4,4,4',4',4'-Hexafluoro-DL-valine
OR1011274-01	4,4',4'',4'''-Methanetetrayltetrabenzoic Acid
IN11625	(4,4′,4′′,4′′′-Tetraaminophthalocyaninato) cobalt
OR1001790-01	4,4',4'',4'''-Silanetetrayltetrabenzoic acid

Catalog	Name
HY-W099255-01	Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
25725310-100g	4,4'-Sulfonyldiphenol (4,4'-Dihydroxydiphenylsulfone)
FT77427	4,4,4-Trifluorovaline
AAA46134	4,4,4-Trifluorobutanamide
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