5-Bromo-2-nitrophenol

C₆H₄BrNO₃CAS 27684-84-0218.01 g/mol

Open in Covalent MOL file

Aryl halide Nitro Phenol

Properties

Molecular formula: C₆H₄BrNO₃
Molar mass: 218.01 g/mol
Exact mass: 216.9375 Da
logP: 2.06Crippen estimate
Polar surface area: 63.4 Å²
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

27684-84-0

SMILES

C1=CC(=C(C=C1Br)O)[N+](=O)[O-]

InChIKey

DTWHNSNSUBKGTC-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrNO3/c7-4-1-2-5(8(10)11)6(9)3-4/h1-3,9H

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Names and synonyms

1 names

Phenol, 5-bromo-2-nitro-

Work with 5-Bromo-2-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

4-Bromo-1,2-dinitrobenzene610-38-868 % similar 2,5-Dinitrophenol329-71-564 % similar 2,4-Dibromonitrobenzene51686-78-364 % similar 3-Hydroxy-4-nitrobenzaldehyde704-13-263 % similar 4-Bromo-2-fluoro-1-nitrobenzene321-23-360 % similar 5-Fluoro-2-nitrophenol446-36-660 % similar 5-Methyl-2-nitrophenol700-38-960 % similar 5-Bromo-2-nitrobenzotrifluoride344-38-759 % 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-6-hydroxynicotinic acid41668-13-7 3-Bromo-4-nitrophenol5470-65-5 2-Bromo-4-nitrophenol5847-59-6 4-Bromo-2-nitrophenol7693-52-9

Elsewhere

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