(5-Bromo-2-thienyl)phenylmethanone

C₁₁H₇BrOSCAS 31161-46-3267.14 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₁H₇BrOS
Molar mass: 267.14 g/mol
Exact mass: 265.9401 Da
Melting point: 45–46 °C
logP: 3.74Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

31161-46-3

SMILES

O=C(c1ccccc1)c1ccc(Br)s1

InChIKey

DHPVOIIUHSEYJY-UHFFFAOYSA-N

InChI

InChI=1S/C11H7BrOS/c12-10-7-6-9(14-10)11(13)8-4-2-1-3-5-8/h1-7H

Weigh it out

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

Names and synonyms

7 names

Methanone, (5-bromo-2-thienyl)phenyl-
Ketone, 5-bromo-2-thienyl phenyl
2-Benzoyl-5-bromothiophene
5-Benzoyl-2-bromothiophene
NSC 170817
2-Bromo-5-benzoylthiophene
(5-Bromothiophen-2-yl)-phenylmethanone

Work with (5-Bromo-2-thienyl)phenylmethanone

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook