Name: Name:4-(3,4-Dichlorophenyl)benzoic acid
Brand: AABLOCKS
SKU: AA005NW9
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA005NW9

Chemical Name: 4-(3,4-Dichlorophenyl)benzoic acid

CAS Number: 7111-64-0

Molecular Formula: C13H8Cl2O2

Molecular Weight: 267.1074

MDL Number: MFCD01862493

SMILES: OC(=O)c1ccc(cc1)c1ccc(c(c1)Cl)Cl

Properties

Complexity: 275

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 17

Hydrogen Bond Acceptor Count: 2

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 2

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 4.8

Downstream Synthesis Route

7111-65-1

7111-64-0

[1]Starnes,W.H.[JournalofOrganicChemistry,1966,vol.31,p.1436-1447]

18282-59-2

180516-87-4

7111-64-0

[1]Hajduk,PhilipJ.;Dinges,Jürgen;Miknis,GregoryF.;Merlock,Megan;Middleton,Tim;Kempf,DaleJ.;Egan,DavidA.;Walter,KarlA.;Robins,TerryS.;Shuker,SuzyB.;Holzman,ThomasF.;Fesik,StephenW.[JournalofMedicinalChemistry,1997,vol.40,#20,p.3144-3150]

7111-64-0

393843-02-2

3-(2-{3-(3',4'-dichloro-biphenyl-4-carbonyl)-amino-2-oxo-azepan-1-yl}-acetylamino)-benzyl-carbamicacid<i>tert</i>-butylester

[1]Zhao,Guohua;Bolton,ScottA.;Kwon,Chet;Hartl,KarenS.;Seiler,StevenM.;Slusarchyk,WilliamA.;Sutton,JamesC.;Bisacchi,GregoryS.[BioorganicandMedicinalChemistryLetters,2004,vol.14,#2,p.309-312]

7111-64-0 | 4-(3,4-Dichlorophenyl)benzoic acid