4-(Trifluoromethylsulfonyl)phenylacetic acid - CAS 1099597-82-6

Name: 4-(Trifluoromethylsulfonyl)phenylacetic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB002569
Product Name:	4-(Trifluoromethylsulfonyl)phenylacetic acid
CAS:	1099597-82-6
Synonyms:	2-[4-(trifluoromethylsulfonyl)phenyl]acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-[4-(trifluoromethylsulfonyl)phenyl]acetic acid
Description:	4-(Trifluoromethylsulfonyl)phenylacetic acid (CAS# 1099597-82-6) is a useful research chemical.
Molecular Weight:	268.21
Molecular Formula:	C9H7F3O4S
Canonical SMILES:	C1=CC(=CC=C1CC(=O)O)S(=O)(=O)C(F)(F)F
InChI:	InChI=1S/C9H7F3O4S/c10-9(11,12)17(15,16)7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)
InChI Key:	FIEUCHICQSJBAU-UHFFFAOYSA-N
Appearance:	White to yellow to beige to brown powder or crystals
MDL:	MFCD04973012
LogP:	2.68800

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[452-76-6]C7H6F2
2,4-Difluorotoluene
[151585-93-2]C7H6FNO
2-Amino-6-fluorobenzaldehyde
[1795420-51-7]C6H6F3N3O2
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
[1211518-11-4]C4H2ClF3N4
4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine
[5310-68-9]C6H4ClF5S
4-Chlorophenylsulphur pentafluoride

Other Pyrimidines

[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[452-76-6]C7H6F2
2,4-Difluorotoluene
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[937601-34-8]C9H8BrN3O2
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[1632145-37-9]0
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione

Sulfur Compounds

[85-47-2]C10H8O3S
1-Naphthalenesulfonic acid
[1005626-64-1]C13H14N6OS
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[1879-16-9]C8H10OS
4-Methoxythioanisole
[21124-33-4]C5H14N2S2
Ammonium diethyldithiocarbamate
[156-57-0]C2H8ClNS
Cysteamine hydrochloride

Publication Number	Title	Priority Date
EP-2832731-A1	Aromatic heterocyclic five-membered ring derivative having trpv4 inhibitory activity	20120327
JP-WO2013146754-A1	Aromatic hetero 5-membered ring derivative having TRPV4 inhibitory activity	20120327
US-2015038483-A1	Aromatic 5-membered heterocyclic derivative having trpv4-inhibiting activity	20120327
US-2017066759-A1	Aromatic 5-membered heterocyclic derivative having trpv4-inhibiting activity	20120327
US-9499533-B2	Aromatic 5-membered heterocyclic derivative having TRPV4-Inhibiting activity	20120327

Complexity:	374
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	268.00171436
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	268.00171436
Rotatable Bond Count:	3
Topological Polar Surface Area:	79.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5