3-Bromo-2-chlorophenol

C₆H₄BrClOCAS 863870-87-5207.45 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₄BrClO
Molar mass: 207.45 g/mol
Exact mass: 205.9134 Da
logP: 2.81Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

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

863870-87-5

SMILES

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

InChIKey

DUKKNDLIWRYBCT-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrClO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H

Weigh it out

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

Work with 3-Bromo-2-chlorophenol

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-Chlororesorcinol6201-65-667 % similar 1,3-Dibromo-2-chlorobenzene19230-27-462 % similar 2-Bromophenol95-56-757 % similar 3-Bromobenzene-1,2-diol14381-51-256 % similar 2,3-Dichlorophenol576-24-956 % similar 1-Bromo-2,3-dichlorobenzene56961-77-452 % similar 2-Amino-3-bromophenol116435-77-952 % similar 3-Bromo-2-fluorophenol156682-53-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-3-chlorophenol13631-21-5 2-Bromo-5-chlorophenol13659-23-9 3-Bromo-4-chlorophenol13659-24-0 5-Bromo-2-chlorophenol183802-98-4 4-Bromo-2-chlorophenol3964-56-5 3-Bromo-5-chlorophenol56962-04-0 2-Bromo-4-chlorophenol695-96-5

Elsewhere

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