chempirical

2-Nitroresorcinol

C6H5NO4CAS 601-89-8155.11 g/mol

Open in Covalent MOL file
ON+O−HOHO
NitroPhenol

Properties

Molecular formula
C6H5NO4
Molar mass
155.11 g/mol
Exact mass
155.0219 Da
Melting point
82 °C
logP
1.01Crippen estimate
Polar surface area
83.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Identifiers

CAS number
601-89-8
SMILES
O=[N+]([O-])c1c(O)cccc1O
InChIKey
ZLCPKMIJYMHZMJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H

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

Names and synonyms

6 names
  • 1,3-Benzenediol, 2-nitro-
  • Resorcinol, 2-nitro-
  • 2-Nitro-1,3-benzenediol
  • 1,3-Dihydroxy-2-nitrobenzene
  • 2,6-Dihydroxynitrobenzene
  • NSC 1542

Work with 2-Nitroresorcinol

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

3-Fluoro-2-nitrophenol385-01-372 % similar 3-Methyl-2-nitrophenol4920-77-872 % similar Nitrophloroglucinol16600-92-361 % similar Nitrophenol88-75-561 % similar 2,4-Dinitroresorcinol519-44-860 % similar 2-Methyl-3-nitrophenol5460-31-156 % similar 2-Amino-3-nitrophenol603-85-056 % similar 3-Hydroxy-2-nitropyridine15128-82-253 % similar

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

Same formula

2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-acetic acid25021-08-3 4-Nitrocatechol3316-09-4 N-(Methoxycarbonyl)maleimide55750-48-6 Citrazinic acid99-11-6

Elsewhere

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