chempirical

2-Amino-4-nitrophenol sodium salt

C6H5N2NaO3CAS 61702-43-0176.11 g/mol

Open in Covalent MOL file
NH2N+O−OO−Na+
NitroPhenolPrimary amine

Properties

Molecular formula
C6H5N2NaO3
Molar mass
176.11 g/mol
Exact mass
176.0198 Da
logP
0.50Crippen estimate
Polar surface area
89.4 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Identifiers

CAS number
61702-43-0
SMILES
Nc1cc([N+]([O-])=O)ccc1[O-].[Na+]
InChIKey
BRFXNNKOCOUTSF-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O3.Na/c7-5-3-4(8(10)11)1-2-6(5)9;/h1-3,9H,7H2;

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Names and synonyms

3 names
  • Phenol, 2-amino-4-nitro-, sodium salt (1:1)
  • Phenol, 2-amino-4-nitro-, monosodium salt
  • Phenol, 2-amino-4-nitro-, sodium deriv.

Work with 2-Amino-4-nitrophenol sodium salt

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

Sodium 2,4-dinitrophenolate1011-73-066 % similar 5-Nitroguaiacol sodium salt67233-85-657 % similar 2-Bromo-5-nitroaniline10403-47-157 % similar 2-Fluoro-5-nitrobenzenamine369-36-857 % similar 2-Chloro-5-nitroaniline6283-25-657 % similar 2-Methyl-5-nitroaniline99-55-857 % similar Sodium picramate831-52-756 % similar Sodium 2-amino-5-nitrobenzenesulfonate30693-53-956 % similar

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

Elsewhere

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