4-Phenylphenyl Triflate

CAT: 0127-PC109206-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC109206-01Size:100 mg

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CAS Number

17763-78-9

Synonyms

(4-phenylphenyl) trifluoromethanesulfonate

Purity

95%

Smiles

C1=CC=C(C=C1)C2=CC=C(C=C2)OS(=O)(=O)C(F)(F)F

Chemical Information

4-Biphenylyl Trifluoromethanesulfonate

CAS Number	17763-78-9
PubChem CID	11077493
IUPAC Name	(4-phenylphenyl) trifluoromethanesulfonate
Molecular Formula	C13H9F3O3S
Molecular Weight	302.27
XLogP	4.3
Topological Polar Surface Area	51.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	400

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C13H9F3O3S/c14-13(15,16)20(17,18)19-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

InChIKey

RJFYGCJTUUXOOF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17763-78-9

CID: 11077493

Formula: C13H9F3O3S

MW: 302.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	302.27
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	302.02244980
Monoisotopic Mass	302.02244980
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	400
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
OR7653-01	2- (4-Phenylphenyl) malondialdehyde
BI12244-01	3,4-Dimethylphenyl triflate
PC1008717-01	(4-Phenoxyphenyl) Diphenylsulfonium Triflate
OR93284-01	Bis (4-phenylphenyl) phosphine oxide
PC3898	Diphenyl (4-iodophenyl) sulphonium triflate
PC5762-01	Diphenyl (4-methylphenyl) sulphonium triflate
PC5513	Methylphenyl (4-thiomethylphenyl) sulphonium triflate
PC100128-01	Bis (4-fluorophenyl) iodonium triflate
PC103542-01	Bis (4-bromophenyl) iodonium triflate
PC5760	Diphenyl (4-methoxyphenyl) sulphonium triflate

Catalog	Name
433910-01	4'-Bromobiphenyl-4-yl triflate
sc-396964	(4-Phenylthiophenyl) diphenylsulfonium triflate
81416-37-7-01	(4-methylphenyl) diphenylsulfonium triflate
sc-396963	(4-Phenoxyphenyl) diphenylsulfonium triflate
IL-0180-HP-5000	1-Butyl-4-methylpyridinium triflate
GW1863-1g	Bis (4-fluorophenyl) iodonium triflate
GW8154-1g	Bis (4-bromophenyl) iodonium triflate
sc-326865	Dimethyl-2,4-dihydroxyphenylsulfonium triflate
288098-01	(4-Pyridylmethyl) Sulfonyl Chloride Triflate
sc-262167	(4-tert-Butylphenyl) diphenylsulphonium triflate