chempirical

Methyl 5-nitrosalicylate

C8H7NO5CAS 17302-46-4197.15 g/mol

Open in Covalent MOL file
OON+OO−HO
EsterNitroPhenol

Properties

Molecular formula
C8H7NO5
Molar mass
197.15 g/mol
Exact mass
197.0324 Da
Melting point
148–150 °C
logP
1.09Crippen estimate
Polar surface area
89.7 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Identifiers

CAS number
17302-46-4
SMILES
COC(=O)c1cc([N+](=O)[O-])ccc1O
InChIKey
UUBFELFUKFJSRD-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO5/c1-14-8(11)6-4-5(9(12)13)2-3-7(6)10/h2-4,10H,1H3

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Names and synonyms

5 names
  • Benzoic acid, 2-hydroxy-5-nitro-, methyl ester
  • Salicylic acid, 5-nitro-, methyl ester
  • Methyl 2-hydroxy-5-nitrobenzoate
  • Methyl 5-nitro-2-hydroxybenzoate
  • 2-Hydroxy-5-nitrobenzoic acid methyl ester

Work with Methyl 5-nitrosalicylate

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

Dimethyl 4-nitrophthalate610-22-074 % similar Methyl 2-methoxy-5-nitrobenzoate34841-11-767 % similar Methyl 2-chloro-5-nitrobenzoate6307-82-067 % similar 1-(2-Hydroxy-5-nitrophenyl)ethanone1450-76-664 % similar Methyl 2-bromo-4-nitrobenzoate100959-22-664 % similar Methyl 2-chloro-4-nitrobenzoate13324-11-364 % similar Methyl 2-hydroxy-3,5-dinitrobenzoate22633-33-662 % similar 5-Nitrosalicylic acid96-97-962 % similar

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

Same formula

4-Hydroxy-3-nitrophenylacetic acid10463-20-4 6-Nitro-1,3-benzodioxole-5-methanol15341-08-9 (4-Nitrophenoxy)acetic acid1798-11-4 2-Nitrophenoxyacetic acid1878-87-1 5-Methoxy-2-nitrobenzoic acid1882-69-5 Methyl 3-nitrosalicylate22621-41-6 2-Methoxy-4-nitrobenzoic acid2597-56-0 4-Methoxy-2-nitrobenzoic acid33844-21-2

Elsewhere

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