Name: Name:[3-(Trifluoromethyl)phenoxy]acetic acid
Brand: AABLOCKS
SKU: AA007GDC
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA007GDC

Chemical Name: [3-(Trifluoromethyl)phenoxy]acetic acid

CAS Number: 349-82-6

Molecular Formula: C9H7F3O3

Molecular Weight: 220.1453

MDL Number: MFCD03147381

SMILES: OC(=O)COc1cccc(c1)C(F)(F)F

Properties

Complexity: 227

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 15

Hydrogen Bond Acceptor Count: 6

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 3

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.4

Downstream Synthesis Route

349-82-6

85630-83-7

[1]Chen,Ting;Shen,Ping;Li,Yanjun;He,Hongwu[Phosphorus,SulfurandSiliconandtheRelatedElements,2006,vol.181,#9,p.2135-2145]Chen,Ting;Shen,Ping;Li,Yanjun;He,Hongwu[JournalofFluorineChemistry,2006,vol.127,#2,p.291-295]

[2]Amino;Kawada;Toi;Kumashiro;Fukushima[ChemicalandPharmaceuticalBulletin,1988,vol.36,#11,p.4426-4434]

[3]RamaRao;VenkatReddy;Maitraie;Ravikanth;Yadla;Narsaiah;ShanthanRao[Tetrahedron,2004,vol.60,#52,p.12231-12237]

[4]Locationinpatent:experimentalpartWang,Tao;He,HongWu[Phosphorus,SulfurandSiliconandtheRelatedElements,2008,vol.183,#8,p.1884-1891]

[5]Locationinpatent:schemeortableHe,Hong-Wu;Yuan,Jun-Lin;Peng,Hao;Chen,Ting;Shen,Ping;Wan,Shu-Qing;Lee,Yanjun;Tan,Hong-Liang;He,Ya-Hui;He,Jun-Bo;Li,Yan[JournalofAgriculturalandFoodChemistry,2011,vol.59,#9,p.4801-4813]

[6]Wang,Wei;He,Hong-Wu;Zuo,Na;Zhang,Xin;Lin,Ji-Sheng;Chen,Wei;Peng,Hao[JournalofFluorineChemistry,2012,vol.142,p.24-28]

[7]Deng,Xiaoyan;Liao,Guihong;Long,Qingwu;Gao,Yujiao;Peng,Hao;He,Hongwu[Phosphorus,SulfurandSiliconandtheRelatedElements,2013,vol.188,#6,p.663-671]Wang,Tao;Gao,Yujiao;Peng,Hao;He,Hongwu[Phosphorus,SulfurandSiliconandtheRelatedElements,2015,vol.190,#7,p.972-977]He;Wang;Peng;Tan[Phosphorus,SulfurandSiliconandtheRelatedElements,2019,vol.194,#4-6,p.510-512]

[8]Wang,Tao;Wang,Wei;Peng,Hao;He,Hongwu[JournalofHeterocyclicChemistry,2015,vol.52,#1,p.173-179]Wang,Tao;Peng,Hao;He,Hongwu[JournalofHeterocyclicChemistry,2015,vol.52,#4,p.1260-1263]Sheng,Xijun;Zhou,Yuan;Zhang,Shasha;Peng,Hao;He,Hongwu[JournalofHeterocyclicChemistry,2017,vol.54,#1,p.165-170]

[9]Li,Zheng;Wang,Xuekun;Xu,Xue;Yang,Jianyong;Qiu,Qianqian;Qiang,Hao;Huang,Wenlong;Qian,Hai[BioorganicandMedicinalChemistry,2015,vol.23,#20,p.6666-6672]

116-02-9

349-82-6

17564-81-7

[1]Arzneimittel-Forschung/DrugResearch,1975,vol.25,p.1686-1692

349-82-6

59-46-1

27474-68-6

[1]Arzneimittel-Forschung/DrugResearch,1975,vol.25,p.1686-1692

85474-75-5

349-82-6

4-(4-(2-(3-(trifluoromethyl)phenoxy)acetyl)piperazin-1-yl)benzoicacid

[1]Ragle,LaurenE.;Palanisamy,DilipJ.;Joe,MargauxJ.;Stein,RachelS.;Norman,DerekD.;Tigyi,Gabor;Baker,DanielL.;Parrill,AbbyL.[BioorganicandMedicinalChemistry,2016,vol.24,#19,p.4660-4674]

349-82-6

20350-15-6

C34H34F6O8

[1]Patent:CN105153136,2018,B.Locationinpatent:Paragraph0032-0035;0036

349-82-6 | [3-(Trifluoromethyl)phenoxy]acetic acid