1-(4′-Bromo[1,1′-biphenyl]-4-yl)ethanone

C₁₄H₁₁BrOCAS 5731-01-1275.14 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₄H₁₁BrO
Molar mass: 275.14 g/mol
Exact mass: 273.9993 Da
Melting point: 131 °C
logP: 4.32Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers
H411 Toxic to aquatic life with long lasting effects95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, P501

Identifiers

CAS number

5731-01-1

SMILES

CC(=O)c1ccc(-c2ccc(Br)cc2)cc1

InChIKey

UUVKNCRMWPNBNM-UHFFFAOYSA-N

InChI

InChI=1S/C14H11BrO/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13/h2-9H,1H3

Weigh it out

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

Names and synonyms

12 names

Ethanone, 1-(4′-bromo[1,1′-biphenyl]-4-yl)-
Acetophenone, 4′-(p-bromophenyl)-
4-Acetyl-4′-bromobiphenyl
4′-Bromo-4-acetylbiphenyl
4-(4-Bromophenyl)acetophenone
4-Acetyl-4′-bromo-1,1′-biphenyl
NSC 58059
1-(4′-Bromobiphenyl-4-yl)ethanone
4-(4′-Bromophenyl)acetophenone
1-[4-(4-Bromophenyl)phenyl]ethanone
1-[4-(4-Bromophenyl)phenyl]ethan-1-one
1-(4'-Bromo(1,1'-biphenyl)-4-yl)ethan-1-one

Work with 1-(4′-Bromo[1,1′-biphenyl]-4-yl)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

P-Bromoacetophenone99-90-188 % similar 4,4'-Diacetylbiphenyl787-69-975 % similar 4-Acetylbiphenyl92-91-164 % similar 1,4-Diacetylbenzene1009-61-663 % similar 4-Acetyl-4'-methylbiphenyl5748-38-962 % similar 1-(3,5-Dibromophenyl)ethanone14401-73-157 % similar Piceol99-93-455 % similar 3′-Bromoacetophenone2142-63-455 % similar

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

Same formula

1-(1,1'-Biphenyl)-4-yl-2-bromoethanone135-73-9 2-Bromo-1,2-diphenylethanone1484-50-0 1-(4-Bromophenyl)-2-phenylethanone2001-29-8 3-Benzoylbenzyl bromide22071-24-5 4-(Bromomethyl)benzophenone32752-54-8

Elsewhere

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