chempirical

5-Nitrosalicylic acid

C7H5NO5CAS 96-97-9183.12 g/mol

Open in Covalent MOL file
OHON+OO−HO
Carboxylic acidNitroPhenol

Properties

Molecular formula
C7H5NO5
Molar mass
183.12 g/mol
Exact mass
183.0168 Da
Density
1.654 g/mL (at 13.5 °C)
Melting point
229.5 °C
logP
1.00Crippen estimate
Polar surface area
100.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
96-97-9
SMILES
O=C(O)c1cc([N+](=O)[O-])ccc1O
InChIKey
PPDRLQLKHRZIJC-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NO5/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,9H,(H,10,11)

Weigh it out

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

Names and synonyms

7 names
  • Benzoic acid, 2-hydroxy-5-nitro-
  • Salicylic acid, 5-nitro-
  • 2-Hydroxy-5-nitrobenzoic acid
  • Anilotic acid
  • 5-Nitro-2-hydroxybenzoic acid
  • NSC 175998
  • NSC 183

Work with 5-Nitrosalicylic 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

Mordant orange 12243-76-773 % similar 2,5-Dinitrobenzoic acid610-28-670 % similar 1-(2-Hydroxy-5-nitrophenyl)ethanone1450-76-667 % similar 2-Methyl-5-nitrobenzoic acid1975-52-667 % similar 2-Chloro-5-nitrobenzoic acid2516-96-367 % similar 2-Amino-5-nitrobenzoic acid616-79-567 % similar 2-Bromo-5-nitrobenzoic acid943-14-667 % similar 2,4-Dinitrobenzoic acid610-30-066 % 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 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

Elsewhere

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