chempirical

3-Amino-4-bromophenol

C6H6BrNOCAS 100367-37-1188.02 g/mol

Open in Covalent MOL file
NH2OHBr
Aryl halidePhenolPrimary amine

Properties

Molecular formula
C6H6BrNO
Molar mass
188.02 g/mol
Exact mass
186.9633 Da
logP
1.74Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
100367-37-1
SMILES
Nc1cc(O)ccc1Br
InChIKey
JJNOHJJIVAVDLP-UHFFFAOYSA-N
InChI
InChI=1S/C6H6BrNO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H,8H2

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Names and synonyms

1 names
  • Phenol, 3-amino-4-bromo-

Work with 3-Amino-4-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

2,5-Dibromoaniline3638-73-162 % similar 2-Bromo-5-fluorobenzenamine1003-99-252 % similar 4-Bromo-3-fluorophenol121219-03-252 % similar 4-Bromo-3-chlorophenol13631-21-552 % similar 4-Bromo-3-methylphenol14472-14-152 % similar 3-Amino-4-methylphenol2836-00-252 % similar 3-Amino-4-fluorophenol62257-16-352 % similar 2-Bromo-5-chlorobenzenamine823-57-452 % similar

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

Same formula

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 5-Bromo-2-methoxypyridine13472-85-0

Elsewhere

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