chempirical

(2-Chlor-5-iod-phenyl)-(4-fluoro-phenyl)-methanone

C13H7ClFIOCAS 915095-86-2360.55 g/mol

Open in Covalent MOL file
OFICl
Aryl halideKetone

Properties

Molecular formula
C13H7ClFIO
Molar mass
360.55 g/mol
Exact mass
359.9214 Da
logP
4.31Crippen 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
915095-86-2
SMILES
O=C(c1ccc(F)cc1)c1cc(I)ccc1Cl
InChIKey
KNYGUQLVFSPVRI-UHFFFAOYSA-N
InChI
InChI=1S/C13H7ClFIO/c14-12-6-5-10(16)7-11(12)13(17)8-1-3-9(15)4-2-8/h1-7H

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Names and synonyms

2 names
  • (2-Chloro-5-iodophenyl)(4-fluorophenyl)methanone
  • Methanone, (2-chloro-5-iodophenyl)(4-fluorophenyl)-

Work with (2-Chlor-5-iod-phenyl)-(4-fluoro-phenyl)-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

(5-Bromo-2-chlorophenyl)(4-fluorophenyl)methanone915095-85-166 % similar 2-Chloro-4'-fluorobenzophenone1806-23-166 % similar (5-Iodo-2-chlorophenyl)(4-ethoxyphenyl)methanone1103738-26-661 % similar (2-Chloro-5-iodophenyl)(4-(((3S)-tetrahydro-3-furanyl)oxy)phenyl)methanone915095-87-354 % similar 2-Chloro-5-iodobenzoic acid19094-56-551 % similar (4-Chloro-3-nitrophenyl)(4-fluorophenyl)methanone31431-16-049 % 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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