4-Azidobenzoic acid

C₇H₅N₃O₂CAS 6427-66-3163.14 g/mol

Open in Covalent MOL file

Azide Carboxylic acid

Properties

Molecular formula: C₇H₅N₃O₂
Molar mass: 163.14 g/mol
Exact mass: 163.0382 Da
Melting point: 180 °C
logP: 2.33Crippen estimate
Polar surface area: 86.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

6427-66-3

SMILES

[N-]=[N+]=Nc1ccc(C(=O)O)cc1

InChIKey

PQXPAFTXDVNANI-UHFFFAOYSA-N

InChI

InChI=1S/C7H5N3O2/c8-10-9-6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Benzoic acid, 4-azido-
Benzoic acid, p-azido-
p-Azidobenzoic acid
4-Carboxyphenyl azide
NSC 80932

Work with 4-Azidobenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4′-(1,2-Diazenediyl)bis[benzoic acid]586-91-460 % similar Terephthalic acid100-21-056 % similar Acedoben556-08-151 % similar 4-Isothiocyanatobenzoic acid2131-62-650 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-250 % similar 4,4′-Oxybis[benzoic acid]2215-89-647 % similar 4-Hydroxybenzoic acid99-96-747 % similar P-Azido-L-phenylalanine33173-53-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Nitro-1H-pyrrolo[2,3-B]pyridine101083-92-5 1H-Pyrazolo[3,4-B]pyridine-3-carboxylicacid(9ci)116855-08-4 2-Cyano-4-nitroaniline17420-30-3 3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine28230-32-2 4-Nitro-1H-indazole2942-40-7 7-Nitroindazole2942-42-9 5-Nitroindazole5401-94-5 4-Amino-3-nitrobenzonitrile6393-40-4

Elsewhere

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