Detail of compound @ czechem

Molecular Formula: C₇H₅BrO₂

Molecular weight: 201.0174

InChi: InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)

InChi Key: TUXYZHVUPGXXQG-UHFFFAOYSA-N

SMILES: c1(C(=O)O)ccc(cc1)Br

Chemical Name
4-Br-PhCOOH
4-bromo-benzoic acid
4-bromophenylacetic acid
4-HO2CC6H4-Br
p-BrPhCO2H
p-HOOC-Ph-Br
para-bromobenzoic acid

External Links
PubChem

Authors of compound

Kulhanek, Jiri
Pytela, Oldrich
Ludwig, Miroslav
Prusek, Ondrej
Jindrich, Jindrich
Lycka, Antonin
Pumera, Martin
Matalova, Radka
Jelinek, Ivan
Juza, Josef
Vecera, Miroslav
Riha, Vaclav
Baron, Vaclav
Kalfus, Karel

Articles

Jindrich, Jindrich; Pumera, Martin; Matalova, Radka; Jelinek, Ivan; Juza, Josef, Comparison of association constants of cyclodextrins and their tert-butyl derivatives with halogenbenzoic acids and acridine derivatives. Molecules 2001, 6(3), 221 - 229.

Kulhanek, Jiri; Pytela, Oldrich; Ludwig, Miroslav; Riha, Vaclav, CHEMOMETRICAL ANALYSIS OF SUBSTITUENT EFFECTS. III. ADDITIVITY OF SUBSTITUENT EFFECTS IN DISSOCIATION OF 3,4-DISUBSTITUTED BENZOIC ACIDS IN ORGANIC SOLVENTS. Collect. Czech. Chem. Commun. 1994, 59(3), 627 - 638, 10.1135/cccc19940627

Kulhanek, Jiri; Pytela, Oldrich; Lycka, Antonin, Chemometrical analysis of substituent effects. XIII. Comparison of substituent effects on dissociation and chemical shift in C NMR spectra of mono- and disubstituted benzoic acids. Collect. Czech. Chem. Commun. 2000, 65(1), 106 - 116.

Pytela, Oldrich; Ludwig, Miroslav; Vecera, Miroslav; Baron, Vaclav; Kalfus, Karel, DISSOCIATION CONSTANTS OF SUBSTITUTED BENZOIC ACIDS IN WATER AND IN ORGANIC SOLVENTS. Collect. Czech. Chem. Commun. 1986, 51(10), 2135 - 2142.

Pytela, Oldrich; Prusek, Ondrej, Chemometric analysis of substituent effects. XII. Application of relationship between 2- and 4-substitution of benzene ring to study ortho effect in selected compounds with different reaction centres. Collect. Czech. Chem. Commun. 1999, 64(1), 1617 - 1628.