chempirical

Dimethyl 4-nitrophthalate

C10H9NO6CAS 610-22-0239.18 g/mol

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OON+OO−OO
EsterNitro

Properties

Molecular formula
C10H9NO6
Molar mass
239.18 g/mol
Exact mass
239.0430 Da
Melting point
65 °C
Boiling point
192–195 °C (at 25 Torr)
logP
1.17Crippen estimate
Polar surface area
95.7 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
3

Identifiers

CAS number
610-22-0
SMILES
COC(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC
InChIKey
XWBDWELWBUWSNI-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO6/c1-16-9(12)7-4-3-6(11(14)15)5-8(7)10(13)17-2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • 1,2-Benzenedicarboxylic acid, 4-nitro-, 1,2-dimethyl ester
  • Phthalic acid, 4-nitro-, dimethyl ester
  • 1,2-Benzenedicarboxylic acid, 4-nitro-, dimethyl ester
  • 4-Nitrophthalic acid dimethyl ester
  • 1,2-Bis(methoxycarbonyl)-4-nitrobenzene
  • Dimethyl 4-nitrobenzene-1,2-dicarboxylate
  • 4-Nitro-1,2-benzenedicarboxylic acid dimethyl ester
  • NSC 9410
  • 1,2-Dimethyl 4-nitrobenzene-1,2-dicarboxylate

Work with Dimethyl 4-nitrophthalate

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 2-bromo-4-nitrobenzoate100959-22-674 % similar Methyl 2-chloro-4-nitrobenzoate13324-11-374 % similar Methyl 5-nitrosalicylate17302-46-474 % similar Methyl 2-methoxy-5-nitrobenzoate34841-11-774 % similar Methyl 2-chloro-5-nitrobenzoate6307-82-074 % similar 4-Nitrophthalic anhydride5466-84-274 % similar Methyl 4-nitrobenzoate619-50-165 % similar Methyl 3-nitrobenzoate618-95-163 % similar

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

Same formula

Dimethyl 5-nitroisophthalate13290-96-5 Dimethyl 3-nitrophthalate13365-26-9 Dimethyl nitroterephthalate5292-45-5

Elsewhere

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