5-Hydroxy-2-nitrobenzoic acid

C₇H₅NO₅CAS 610-37-7183.12 g/mol

Open in Covalent MOL file

Carboxylic acid Nitro Phenol

Properties

Molecular formula: C₇H₅NO₅
Molar mass: 183.12 g/mol
Exact mass: 183.0168 Da
Melting point: 171.5–172 °C
logP: 1.00Crippen estimate
Polar surface area: 100.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Identifiers

CAS number

610-37-7

SMILES

O=C(O)c1cc(O)ccc1[N+](=O)[O-]

InChIKey

BUHKQTKKZAXSMH-UHFFFAOYSA-N

InChI

InChI=1S/C7H5NO5/c9-4-1-2-6(8(12)13)5(3-4)7(10)11/h1-3,9H,(H,10,11)

Weigh it out

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

Names and synonyms

2 names

Benzoic acid, 5-hydroxy-2-nitro-
3-Carboxy-4-nitrophenol

Work with 5-Hydroxy-2-nitrobenzoic 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

2,5-Dinitrobenzoic acid610-28-670 % similar 5-Amino-2-nitrobenzoic acid13280-60-967 % similar 5-Chloro-2-nitrobenzoic acid2516-95-267 % similar 5-Methyl-2-nitrobenzoic acid3113-72-267 % similar 5-Fluoro-2-nitrobenzoic acid320-98-967 % similar Ellman'S reagent69-78-367 % similar 2-Nitrobenzoic acid552-16-962 % similar 5-Methoxy-2-nitrobenzoic acid1882-69-562 % similar

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

Same formula

3,4-Dihydroxy-5-nitrobenzaldehyde116313-85-0 Chelidamic acid138-60-3 4-Hydroxy-3-nitrobenzoic acid616-82-0 3-Hydroxy-4-nitrobenzoic acid619-14-7 2-Hydroxy-4-nitrobenzoic acid619-19-2 3-(5-Nitro-2-furyl)acrylic acid6281-23-8 3-Nitrosalicylic acid85-38-1 5-Nitrosalicylic acid96-97-9

Elsewhere

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