2-Amino-3-bromophenol

C6H6BrNOCAS 116435-77-9188.02 g/mol

Open in Covalent MOL file
BrNH2OH
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

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
116435-77-9
SMILES
C1=CC(=C(C(=C1)Br)N)O
InChIKey
JBNSVEGZVHJLMS-UHFFFAOYSA-N
InChI
InChI=1S/C6H6BrNO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H,8H2

Weigh it out

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

Work with 2-Amino-3-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-Aminoresorcinol3163-15-368 % similar 2,6-Dibromoaniline608-30-064 % similar 2-Aminoresorcinol hydrochloride634-60-660 % similar 2,3-Diaminophenol59649-56-858 % similar 2-Bromophenol95-56-754 % similar 3-Bromobenzene-1,2-diol14381-51-254 % similar 2-Amino-3-methylphenol2835-97-454 % similar 2-Amino-3-fluorophenol53981-23-054 % 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-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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