(5-Bromo-2-thienyl)phenylmethanone

C11H7BrOSCAS 31161-46-3267.14 g/mol

Open in Covalent MOL file
OBrS
Aryl halideKetone

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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Similar compounds

Benzophenone119-61-950 % similar 2-Benzoylthiophene135-00-250 % similar 2-Acetyl-5-bromothiophene5370-25-250 % similar 5-Bromothiophene-2-carboxylic acid7311-63-950 % similar 4-Bromobenzophenone90-90-448 % similar 1,4-Dibenzoylbenzene3016-97-548 % similar 2-Bromobenzophenone13047-06-847 % similar Tiaprofenic acid33005-95-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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