Isoxazole-5-carbonyl chloride

C₄H₂ClNO₂CAS 62348-13-4131.51 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₂ClNO₂
Molar mass: 131.51 g/mol
Exact mass: 130.9774 Da
logP: 1.05Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

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

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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-Methylisoxazole-3-carbonyl 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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