5-Methyl-3-isoxazolecarbonyl chloride

C₅H₄ClNO₂CAS 39499-34-8145.54 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₄ClNO₂
Molar mass: 145.54 g/mol
Exact mass: 144.9931 Da
Boiling point: 88 °C (at 18 Torr)
logP: 1.36Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

39499-34-8

SMILES

Cc1cc(C(=O)Cl)no1

InChIKey

XMVNMWDLOGSUSM-UHFFFAOYSA-N

InChI

InChI=1S/C5H4ClNO2/c1-3-2-4(5(6)8)7-9-3/h2H,1H3

Weigh it out

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

Names and synonyms

2 names

3-Isoxazolecarbonyl chloride, 5-methyl-
5-Methylisoxazol-3-carbonyl chloride

Work with 5-Methyl-3-isoxazolecarbonyl 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

5-Methyl-3-isoxazolecarboxylic acid3405-77-458 % similar Methyl 5-methyl-3-isoxazolecarboxylate19788-35-354 % similar Ethyl 5-methylisoxazole-3-carboxylate3209-72-150 % similar 2,5-Dimethyl-3-furancarbonyl chloride50990-93-744 % similar 3,5-Dimethylisoxazole300-87-843 % similar 3-Hydroxy-5-methylisoxazole10004-44-139 % similar 2,6-Pyridinedicarbonyl dichloride3739-94-439 % similar 3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolecarbonyl chloride4462-55-939 % similar

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

Same formula

Gimeracil103766-25-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook