chempirical

3-Bromo-4-nitrophenol

C6H4BrNO3CAS 5470-65-5218.01 g/mol

Open in Covalent MOL file
HOBrN+OO−
Aryl halideNitroPhenol

Properties

Molecular formula
C6H4BrNO3
Molar mass
218.01 g/mol
Exact mass
216.9375 Da
logP
2.06Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
5470-65-5
SMILES
C1=CC(=C(C=C1O)Br)[N+](=O)[O-]
InChIKey
SZYVPWPBRABKAB-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H

Weigh it out

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Work with 3-Bromo-4-nitrophenol

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

1,3-Dibromo-4,6-dinitrobenzene24239-82-558 % similar 1-Bromo-2-nitrobenzene577-19-556 % similar 1-Bromo-2,4-dinitrobenzene584-48-550 % similar 1,4-Dibromo-2-fluoro-5-nitrobenzene366496-33-549 % similar 1-Bromo-4-fluoro-2-nitrobenzene446-09-349 % similar 1-Bromo-4-chloro-2-nitrobenzene41513-04-647 % similar 1-Bromo-4-methyl-2-nitrobenzene5326-34-147 % similar 1-Bromo-2-chloro-3-nitrobenzene3970-37-446 % similar

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

Same formula

5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid104612-36-4 2-Bromo-6-nitrophenol13073-25-1 5-Bromo-2-nitrophenol27684-84-0 5-Bromo-6-hydroxynicotinic acid41668-13-7 2-Bromo-4-nitrophenol5847-59-6 4-Bromo-2-nitrophenol7693-52-9

Elsewhere

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