2-Bromo-4-methylpropiophenone

C₁₀H₁₁BrOCAS 1451-82-7227.10 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₁₀H₁₁BrO
Molar mass: 227.10 g/mol
Exact mass: 225.9993 Da
logP: 2.96Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

1451-82-7

SMILES

CC1=CC=C(C=C1)C(=O)C(C)Br

InChIKey

OZLUPIIIHOOPNQ-UHFFFAOYSA-N

InChI

InChI=1S/C10H11BrO/c1-7-3-5-9(6-4-7)10(12)8(2)11/h3-6,8H,1-2H3

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Names and synonyms

1 names

2-Bromo-1-(4-methylphenyl)propan-1-one

Work with 2-Bromo-4-methylpropiophenone

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

α-Bromopropiophenone2114-00-366 % similar 2-Bromo-1-(4-chlorophenyl)-1-propanone877-37-265 % similar 4,4'-Dimethylbenzoin1218-89-953 % similar 2-Bromo-1-(3-chlorophenyl)-1-propanone34911-51-850 % similar 2-Bromo-1-[4-(phenylmethoxy)phenyl]-1-propanone35081-45-950 % similar 1-(Benzo(d)(1,3)dioxol-5-yl)-2-bromopropan-1-one52190-28-050 % similar (±)-Tolperisone728-88-149 % similar 1,2-Bis(4-methylphenyl)-1,2-ethanedione3457-48-548 % similar

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

Same formula

2-Bromoisobutyrophenone10409-54-8 5-(2-Bromoethyl)-2,3-dihydro-1-benzofuran127264-14-6 2-Bromo-1-(3-methylphenyl)-1-propanone1451-83-8 1-(4-Bromophenyl)-1-butanone4981-64-0

Elsewhere

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