4-Amino-2-bromophenol

C₆H₆BrNOCAS 16750-67-7188.02 g/mol

Open in Covalent MOL file

Aryl halide Phenol Primary amine

Properties

Molecular formula: C₆H₆BrNO
Molar mass: 188.02 g/mol
Exact mass: 186.9633 Da
Melting point: 165 °C
logP: 1.74Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Identifiers

CAS number

16750-67-7

SMILES

Nc1ccc(O)c(Br)c1

InChIKey

CBQJZWGBFZAUEV-UHFFFAOYSA-N

InChI

InChI=1S/C6H6BrNO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H,8H2

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

Names and synonyms

2 names

Phenol, 4-amino-2-bromo-
2-Bromo-4-aminophenol

Work with 4-Amino-2-bromophenol

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

3,4-Dibromobenzenamine615-55-460 % similar 4-Amino-2,6-dibromophenol609-21-258 % similar 4-Amino-2-chlorophenol3964-52-157 % similar 2-Bromo-1,4-benzenediol583-69-756 % similar 2,4-Dibromophenol615-58-756 % similar 4-Amino-2-methylphenol2835-96-352 % similar 2-Bromo-4-fluorophenol496-69-552 % similar 3-Bromo-4-fluorobenzenamine656-64-452 % similar

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

Same formula

3-Amino-4-bromophenol100367-37-1 4-Bromo-2-methoxypyridine100367-39-3 2-Bromo-5-methoxypyridine105170-27-2 2-Amino-3-bromophenol116435-77-9 (2-Bromopyridin-4-yl)methanol118289-16-0 (6-Bromo-pyridin-3-yl)-methanol122306-01-8 4-Bromo-2-pyridinemethanol131747-45-0 3-Bromo-2-methoxypyridine13472-59-8

Elsewhere

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