chempirical

(5-Bromo-2-chlorophenyl)(4-fluorophenyl)methanone

C13H7BrClFOCAS 915095-85-1313.55 g/mol

Open in Covalent MOL file
OBrClF
Aryl halideKetone

Properties

Molecular formula
C13H7BrClFO
Molar mass
313.55 g/mol
Exact mass
311.9353 Da
logP
4.47Crippen estimate
Polar surface area
17.1 Ų
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
915095-85-1
SMILES
C1=CC(=CC=C1C(=O)C2=C(C=CC(=C2)Br)Cl)F
InChIKey
LVILQFKAGQFQEK-UHFFFAOYSA-N
InChI
InChI=1S/C13H7BrClFO/c14-9-3-6-12(15)11(7-9)13(17)8-1-4-10(16)5-2-8/h1-7H

Weigh it out

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

Work with (5-Bromo-2-chlorophenyl)(4-fluorophenyl)methanone

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-Chloro-5-iodophenyl)(4-fluorophenyl)methanone915095-86-266 % similar 2-Chloro-4'-fluorobenzophenone1806-23-166 % similar (5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone461432-22-461 % similar (5-Bromo-2-chlorophenyl)-(4-((3S)-oxolan-3-YL)oxyphenyl)methanone915095-84-054 % similar (4-Chloro-3-nitrophenyl)(4-fluorophenyl)methanone31431-16-052 % similar 5-Bromo-2-chlorobenzoic acid21739-92-451 % similar 2,4′-Difluorobenzophenone342-25-649 % similar 4,4′-Difluorobenzophenone345-92-649 % similar

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

Elsewhere

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