1-(3-Bromo-2-hydroxyphenyl)ethanone

C₈H₇BrO₂CAS 1836-05-1215.05 g/mol

Open in Covalent MOL file

Aryl halide Ketone Phenol

Properties

Molecular formula: C₈H₇BrO₂
Molar mass: 215.05 g/mol
Exact mass: 213.9629 Da
logP: 2.36Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

1836-05-1

SMILES

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

InChIKey

XPYYOCANFXTCKX-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrO2/c1-5(10)6-3-2-4-7(9)8(6)11/h2-4,11H,1H3

Weigh it out

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

Names and synonyms

1 names

3'-Bromo-2'-hydroxyacetophenone

Work with 1-(3-Bromo-2-hydroxyphenyl)ethanone

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',3'-Dihydroxyacetophenone28631-86-968 % similar 2′-Bromoacetophenone2142-69-066 % similar 1-(3-Fluoro-2-hydroxyphenyl)ethanone699-92-364 % similar 3-Amino-2-hydroxyacetophenone70977-72-964 % similar 1-(3-Bromo-2-fluorophenyl)ethanone161957-61-561 % similar 3'-Bromo-5'-chloro-2'-hydroxyacetophenone59443-15-160 % similar 3',5'-Dibromo-2'-hydroxyacetophenone22362-66-959 % similar 3'-Amino-2'-hydroxyacetophenone hydrochloride90005-55-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5′-Bromo-2′-hydroxyacetophenone1450-75-5 2-Bromophenylacetic acid18698-97-0 3-Bromophenylacetic acid1878-67-7 4-Bromophenylacetic acid1878-68-8 2-Bromo-2'-hydroxyacetophenone2491-36-3 2-Bromo-1-(3-hydroxyphenyl)ethanone2491-37-4 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-5 5-Bromo-2-methoxybenzaldehyde25016-01-7

Elsewhere

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