4-Bromo-2-nitrophenol

C₆H₄BrNO₃CAS 7693-52-9218.01 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
Melting point: 92 °C
logP: 2.06Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

7693-52-9

SMILES

O=[N+]([O-])c1cc(Br)ccc1O

InChIKey

CUTFAPGINUFNQM-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

2 names

Phenol, 4-bromo-2-nitro-
NSC 402972

Work with 4-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-Dibromonitrobenzene3460-18-264 % similar 2,4-Dinitrophenol51-28-564 % similar 4-Fluoro-2-nitrophenol394-33-262 % similar 4-Bromo-1-iodo-2-nitrobenzene112671-42-860 % similar 4-Methyl-2-nitrophenol119-33-560 % similar 4-Amino-2-nitrophenol119-34-660 % similar 4-Bromo-1-chloro-2-nitrobenzene16588-24-260 % 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 2-Bromo-4-nitrophenol5847-59-6

Elsewhere

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