chempirical

3'-Bromo-2'-methoxyacetophenone

C9H9BrO2CAS 267651-23-0229.07 g/mol

Open in Covalent MOL file
OBrO
Aryl halideEtherKetone

Properties

Molecular formula
C9H9BrO2
Molar mass
229.07 g/mol
Exact mass
227.9786 Da
logP
2.66Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
267651-23-0
SMILES
COc1c(Br)cccc1C(C)=O
InChIKey
IBHCVANJIBGASI-UHFFFAOYSA-N
InChI
InChI=1S/C9H9BrO2/c1-6(11)7-4-3-5-8(10)9(7)12-2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

3 names
  • 1-(3-Bromo-2-methoxyphenyl)ethanone
  • Ethanone, 1-(3-bromo-2-methoxyphenyl)-
  • 1-(3-Bromo-2-methoxyphenyl)ethan-1-one

Work with 3'-Bromo-2'-methoxyacetophenone

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′-Bromoacetophenone2142-69-059 % similar 1-(3-Bromo-2-hydroxyphenyl)ethanone1836-05-157 % similar 2,6-Dibromoanisole38603-09-757 % similar 2',3',4'-Trimethoxyacetophenone13909-73-456 % similar 1-(3-Bromo-2-fluorophenyl)ethanone161957-61-556 % similar 2'-Methoxyacetophenone579-74-854 % similar 1-(3-Bromo-4-methoxyphenyl)ethanone35310-75-951 % similar 1-Bromo-2,3-dimethoxybenzene5424-43-150 % 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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