Detail of compound @ czechem

Molecular Formula: C₇H₅NO₄

Molecular weight: 167.1189

InChi: InChI=1S/C7H5NO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)

InChi Key: SLAMLWHELXOEJZ-UHFFFAOYSA-N

SMILES: c1(c(C(=O)O)cccc1)N(=O)=O

Chemical Name
(2-NO2)PhCO2H
2-nitro-benzoic acid
2-NO2-PhCO2H
nitro-benzoic acid
NSC 9576
o-nitrobenzoic acid
ortho-nitrobenzoic acid

External Links
PubChem

Authors of compound

Kulhanek, Jiri
Pytela, Oldrich
Ludwig, Miroslav
Prusek, Ondrej
Lycka, Antonin
Vesely, Jan
Bauerova, Ingrid
Liska, Josef
Ibrahem, Ismail
Rios, Ramon
Cordova, Armando
Hammar, Peter
Eriksson, Lars

Articles

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.

Kulhanek, Jiri; Pytela, Oldrich, Ortho effect in dissociation of benzoic acids with electron-accceptor substituents using the aise theory; relation to Para substitution and solvent. Collect. Czech. Chem. Commun. 2002, 67(5), 596 - 608, 10.1135/cccc20020596

Ludwig, Miroslav; Bauerova, Ingrid, Substituent effects on the base-catalysed hydrolysis of phenyl esters of ortho-substituted benzoic acids. Collect. Czech. Chem. Commun. 2001, 66(5), 770 - 784, 10.1135/cccc20010770

Pytela, Oldrich; Liska, Josef, CHEMOMETRICAL ANALYSIS OF SUBSTITUENT EFFECTS. V. ortho EFFECT. Collect. Czech. Chem. Commun. 1994, 59(9), 2005 - 2021, 10.1135/cccc19942005

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.

Vesely, Jan; Ibrahem, Ismail; Rios, Ramon; Cordova, Armando; Hammar, Peter; Eriksson, Lars, Organocatalytic asymmetric hydrophosphination of α,β-unsaturated aldehydes: Development, mechanism and DFT calculations. Advanced Synthesis and Catalysis 2008, 350(11-12), 1875 - 1884, 10.1002/adsc.200800277