chempirical

Isoxazole-5-carbonyl chloride

C4H2ClNO2CAS 62348-13-4131.51 g/mol

Open in Covalent MOL file
ONOCl
Acyl halide

Properties

Molecular formula
C4H2ClNO2
Molar mass
131.51 g/mol
Exact mass
130.9774 Da
logP
1.05Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

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
62348-13-4
SMILES
C1=C(ON=C1)C(=O)Cl
InChIKey
NASLINFISOTVJJ-UHFFFAOYSA-N
InChI
InChI=1S/C4H2ClNO2/c5-4(7)3-1-2-6-8-3/h1-2H

Weigh it out

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Work with Isoxazole-5-carbonyl chloride

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

1,2-Oxazole-5-carboxylic acid21169-71-153 % similar 2-Furoyl chloride527-69-545 % similar Phthaloyl chloride88-95-943 % similar 5-Methylfuran-2-carbonyl chloride14003-11-342 % similar Terephthaloyl chloride100-20-941 % similar 2-Bromobenzoyl chloride7154-66-741 % similar 5-Methyl-3-isoxazolecarbonyl chloride39499-34-840 % similar 2-Benzofurancarbonyl chloride41717-28-640 % similar

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

Elsewhere

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