chempirical

4-Hydroxy-3-nitrobenzoic acid

C7H5NO5CAS 616-82-0183.12 g/mol

Open in Covalent MOL file
OHOOHN+OO−
Carboxylic acidNitroPhenol

Properties

Molecular formula
C7H5NO5
Molar mass
183.12 g/mol
Exact mass
183.0168 Da
Melting point
229–231 °C
logP
1.00Crippen estimate
Polar surface area
100.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
616-82-0
SMILES
O=C(O)c1ccc(O)c([N+](=O)[O-])c1
InChIKey
QRYSWXFQLFLJTC-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NO5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)

Weigh it out

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

Names and synonyms

5 names
  • Benzoic acid, 4-hydroxy-3-nitro-
  • 3-Nitro-4-hydroxybenzoic acid
  • 4-Carboxy-2-nitrophenol
  • p-Hydroxy-m-nitrobenzoic acid
  • NSC 78436

Work with 4-Hydroxy-3-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

3,4-Dinitrobenzoic acid528-45-074 % similar Nitroterephthalic acid610-29-770 % similar 3-Bromo-4-nitrobenzoic acid101420-81-967 % similar 4-Amino-3-nitrobenzoic acid1588-83-667 % similar 4-Fluoro-3-nitrobenzoic acid453-71-467 % similar 4-Hydroxy-3-nitroacetophenone6322-56-167 % similar 4-Methyl-3-nitrobenzoic acid96-98-067 % similar 3-Methyl-4-nitrobenzoic acid3113-71-163 % 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 5-Hydroxy-2-nitrobenzoic acid610-37-7 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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