chempirical

Methyl 2-hydroxy-3,5-dinitrobenzoate

C8H6N2O7CAS 22633-33-6242.14 g/mol

Open in Covalent MOL file
OON+OO−N+OO−HO
EsterNitroPhenol

Properties

Molecular formula
C8H6N2O7
Molar mass
242.14 g/mol
Exact mass
242.0175 Da
Melting point
127–128 °C
logP
1.00Crippen estimate
Polar surface area
132.8 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
3

Identifiers

CAS number
22633-33-6
SMILES
COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChIKey
UMELTKSLWXJXNZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O7/c1-17-8(12)5-2-4(9(13)14)3-6(7(5)11)10(15)16/h2-3,11H,1H3

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

Names and synonyms

5 names
  • Benzoic acid, 2-hydroxy-3,5-dinitro-, methyl ester
  • Salicylic acid, 3,5-dinitro-, methyl ester
  • Methyl 3,5-dinitrosalicylate
  • NSC 203306
  • 2-Hydroxy-3,5-dinitro-benzoic acid methyl ester

Work with Methyl 2-hydroxy-3,5-dinitrobenzoate

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

Methyl 3-nitrosalicylate22621-41-666 % similar 3,5-Dinitrosalicylic acid609-99-463 % similar Methyl 5-nitrosalicylate17302-46-462 % similar Dimethyl 4-nitrophthalate610-22-060 % similar Picric acid88-89-158 % similar Dimethyl 5-nitroisophthalate13290-96-557 % similar Methyl 3,5-dinitrobenzoate2702-58-157 % similar Methyl 2-methoxy-5-nitrobenzoate34841-11-755 % similar

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

Same formula

3,5-Dinitro-4-hydroxyphenylacetic acid10463-37-3

Elsewhere

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