2,3,5,6-Tetrafluorophenol

CAT: 0127-PC6820-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-PC6820-01Size:25 g

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CAS Number

769-39-1

Synonyms

4H-Tetrafluorophenol

MDL Number

MFCD00002157

Purity

98%

Smiles

Oc1c (F) c (F) cc (F) c1F

Chemical Information

2,3,5,6-Tetrafluorophenol

CAS Number	769-39-1
PubChem CID	69858
IUPAC Name	2,3,5,6-tetrafluorophenol
Molecular Formula	C6H2F4O
Molecular Weight	166.07
XLogP	2.1
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	129

SMILES

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

InChI

InChI=1S/C6H2F4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H

InChIKey

PBYIIRLNRCVTMQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 769-39-1

CID: 69858

Formula: C6H2F4O

MW: 166.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.07
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	166.00417733
Monoisotopic Mass	166.00417733
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	129
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
PC1021720	2,3,4,6-Tetrafluorophenol
PC101506-01	2,3,4,5-Tetrafluorophenol
PC56225-01	2,3,5,6-Tetrafluorophenyl acrylate
PC4314-01	2,3,5,6-Tetrafluorophenyl trifluoroacetate
PC106097	(2,3,5,6-Tetrafluorophenyl) maleimide
PC106895	2,3,5,6-Tetrafluorophenyl sulfide
PC6832F	2,3,5,6-Tetrafluorophenyl isothiocyanate
PC1011752-01	1- (2,3,5,6-tetrafluorophenyl) ethanol
PC1011939-01	Cyclopropyl (2,3,5,6-tetrafluorophenyl) methanone
PC1024271-01	Trimethyl (2,3,5,6-tetrafluorophenyl) silane