2-Bromoresorcinol

C₆H₅BrO₂CAS 6751-75-3189.01 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

H302 Harmful if swallowed97.5% of notifiers
H312 Harmful in contact with skin97.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled97.5% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6751-75-3

SMILES

C1=CC(=C(C(=C1)O)Br)O

InChIKey

UOLPZAPIFFZLMF-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-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

2-Bromo-3-methyl-phenol22061-78-565 % similar 2-Bromo-3-fluorophenol443-81-265 % similar 2-Bromophenol95-56-752 % similar Catechol120-80-950 % similar 1-Bromo-2-hydroxynaphthalene573-97-750 % similar 1,5-Dihydroxynaphthalene83-56-750 % similar 3-Bromo-2-chlorophenol863870-87-550 % similar Pyrogallol87-66-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromoresorcinol106120-04-1 3-Bromobenzene-1,2-diol14381-51-2 4-Bromocatechol17345-77-6 2-Bromo-1,4-benzenediol583-69-7 4-Bromoresorcinol6626-15-9

Elsewhere

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