chempirical

Methyl 5-nitro-2-furoate

C6H5NO5CAS 1874-23-3171.11 g/mol

Open in Covalent MOL file
OON+OO−O
EsterNitro

Properties

Molecular formula
C6H5NO5
Molar mass
171.11 g/mol
Exact mass
171.0168 Da
Melting point
192.5–194 °C
logP
0.97Crippen estimate
Polar surface area
82.6 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Identifiers

CAS number
1874-23-3
SMILES
COC(=O)c1ccc([N+](=O)[O-])o1
InChIKey
UTLKCGPAJUYGOM-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO5/c1-11-6(8)4-2-3-5(12-4)7(9)10/h2-3H,1H3

Weigh it out

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Names and synonyms

10 names
  • 2-Furancarboxylic acid, 5-nitro-, methyl ester
  • 2-Furoic acid, 5-nitro-, methyl ester
  • Methyl 5-nitropyromucate
  • Methyl 5′-nitropyromucate
  • 5-Nitro-2-carbomethoxyfuran
  • Methyl 5-nitrofuran-2-carboxylate
  • 5-Nitro-2-(methoxycarbonyl)furan
  • Methyl 5-nitro-2-furylcarboxylate
  • 5-Nitro-2-furoic acid methyl ester
  • NSC 6457

Work with Methyl 5-nitro-2-furoate

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

2,5-Dimethyl 2,5-furandicarboxylate4282-32-061 % similar 5-Nitro-2-furoyl chloride25084-14-456 % similar 5-Nitro-2-furoic acid645-12-556 % similar Methyl 2-nitrobenzoate606-27-954 % similar Methyl 5-methyl-2-furancarboxylate2527-96-053 % similar Methyl 4-nitrobenzoate619-50-153 % similar Methyl 5-nitro-2-thiophenecarboxylate5832-01-952 % similar Dimethyl 3-nitrophthalate13365-26-950 % similar

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

Same formula

Nitrophloroglucinol16600-92-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook