chempirical

3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride

C11H6Cl2FNO2CAS 69399-79-7274.07 g/mol

Open in Covalent MOL file
ONFClOCl
Acyl halideAryl halide

Properties

Molecular formula
C11H6Cl2FNO2
Molar mass
274.07 g/mol
Exact mass
272.9760 Da
Melting point
181–184 °C
logP
3.82Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
69399-79-7
SMILES
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Cl
InChIKey
XJCUKCOLGJDGGN-UHFFFAOYSA-N
InChI
InChI=1S/C11H6Cl2FNO2/c1-5-8(11(13)16)10(15-17-5)9-6(12)3-2-4-7(9)14/h2-4H,1H3

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Names and synonyms

5 names
  • 4-Isoxazolecarbonyl chloride, 3-(2-chloro-6-fluorophenyl)-5-methyl-
  • 3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbonyl chloride
  • 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazol-4-oyl chloride
  • 3-(6-Fluoro-2-chlorophenyl)-5-methylisoxazol-4-carbonyl chloride
  • 4-(Chlorocarbonyl)-3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole

Work with 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride

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Similar compounds

3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolecarbonyl chloride4462-55-981 % similar 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid3919-74-273 % similar 3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride25629-50-966 % similar 5-Methyl-3-phenylisoxazole-4-carbonyl chloride16883-16-261 % similar 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid3919-76-457 % similar 3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbonitrile175204-41-857 % similar 2-Chloro-6-fluorobenzoyl chloride79455-63-352 % similar Flucloxacillin5250-39-547 % similar

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

Elsewhere

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