2,3,6-Trifluorophenol

CAT: 0024-sc-223470Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-223470Size:1 g

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CAS Number

113798-74-6

Chemical Information

2,3,6-Trifluorophenol

CAS Number	113798-74-6
PubChem CID	517988
IUPAC Name	2,3,6-trifluorophenol
Molecular Formula	C6H3F3O
Molecular Weight	148.08
XLogP	1.9
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	120

SMILES

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

InChI

InChI=1S/C6H3F3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H

InChIKey

QSFGUSFDWCVXNR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 113798-74-6

CID: 517988

Formula: C6H3F3O

MW: 148.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.08
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	148.01359920
Monoisotopic Mass	148.01359920
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	120
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
sc-231032	2,4,6-Trifluorophenol
sc-231032A	2,4,6-Trifluorophenol
sc-230872	2,3,4-Trifluorophenol
sc-254540	3,4,5-Trifluorophenol
sc-266111	2,4,5-Trifluorophenol
sc-322038	2,3,6-Trifluorophenyl isothiocyanate
sc-304930	2- (2,3,6-Trifluorophenoxy) ethanol
sc-280391	4- (2,4,6-Trifluorophenyl) -3-thiosemicarbazide
sc-260273	2,4,6-Trifluorophenyl isothiocyanate
sc-260272	2,4,6-Trifluorophenyl isocyanate