5-Bromoresorcinol

C₆H₅BrO₂CAS 106120-04-1189.01 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₅BrO₂
Molar mass: 189.01 g/mol
Exact mass: 187.9473 Da
logP: 1.86Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

106120-04-1

SMILES

C1=C(C=C(C=C1O)Br)O

InChIKey

HYHHGFFTWSYNMV-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BrO2/c7-4-1-5(8)3-6(9)2-4/h1-3,8-9H

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Names and synonyms

1 names

5-Bromo-1,3-benzenediol

Work with 5-Bromoresorcinol

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

3,5-Dibromophenol626-41-588 % similar 3-Bromo-5-fluorophenol433939-27-664 % similar 3-Bromo-5-chlorophenol56962-04-064 % similar Phloroglucinol108-73-660 % similar 3-Bromophenol591-20-855 % similar 3-Bromo-5-hydroxybenzoic acid140472-69-154 % similar 4-Bromophenol106-41-253 % similar 5-Bromo-3-pyridinol74115-13-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromobenzene-1,2-diol14381-51-2 4-Bromocatechol17345-77-6 2-Bromo-1,4-benzenediol583-69-7 4-Bromoresorcinol6626-15-9 2-Bromoresorcinol6751-75-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook