chempirical

2-Bromo-1-(2-methoxyphenyl)ethanone

C9H9BrO2CAS 31949-21-0229.07 g/mol

Open in Covalent MOL file
OOBr
Alkyl halideEtherKetone

Properties

Molecular formula
C9H9BrO2
Molar mass
229.07 g/mol
Exact mass
227.9786 Da
Melting point
42–43 °C
logP
2.27Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
31949-21-0
SMILES
COc1ccccc1C(=O)CBr
InChIKey
GKNCPTLOPRDYMH-UHFFFAOYSA-N
InChI
InChI=1S/C9H9BrO2/c1-12-9-5-3-2-4-7(9)8(11)6-10/h2-5H,6H2,1H3

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Names and synonyms

15 names · show all
  • Ethanone, 2-bromo-1-(2-methoxyphenyl)-
  • Acetophenone, 2-bromo-2′-methoxy-
  • Bromomethyl o-methoxyphenyl ketone
  • 2-Bromo-2′-methoxyacetophenone
  • o-Methoxyphenacylbromide
  • 2-Methoxyphenacyl bromide
  • ω-Bromo-2-methoxyacetophenone
  • α-Bromo-2-methoxyacetophenone
  • 2′-Methoxy-2-bromoacetophenone
  • 1-(2-Methoxyphenyl)-2-bromoethanone
  • 2-(Bromoacetyl)anisole
  • 2-Bromo-1-(2-methoxyphenyl)ethan-1-one
  • Bromo-2′-methoxyacetophenone
  • o-Methoxy-2-bromoacetophenone
  • Bromomethyl 2-methoxyphenyl ketone

Work with 2-Bromo-1-(2-methoxyphenyl)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-Bromo-2',5'-dimethoxyacetophenone1204-21-365 % similar 2-Bromo-1-(2,4-dimethoxyphenyl)ethanone60965-26-665 % similar 2-Bromo-1-(3,4-dimethoxyphenyl)ethanone1835-02-555 % similar 2'-Methoxyacetophenone579-74-854 % similar Coumaranone7169-34-853 % similar 2-Methoxybenzoyl chloride21615-34-953 % similar 2-Bromo-2'-hydroxyacetophenone2491-36-353 % similar 2-Bromo-1-(2-chlorophenyl)ethanone5000-66-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 3-bromo-4-methylbenzoate104901-43-1 2-(4-Bromophenyl)-1,3-dioxolane10602-01-4 Methyl 3-(bromomethyl)benzoate1129-28-8 Methyl 2-bromo-3-methylbenzoate131001-86-0 4-(Bromomethyl)phenylacetic acid13737-36-5 Methyl 4-bromo-3-methylbenzoate148547-19-7 Methyl 2-(3-bromophenyl)acetate150529-73-0 3-(2-Bromophenyl)propionic acid15115-58-9

Elsewhere

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