CAS 67305-24-2 | 5-METHYL-4-ISOXAZOLECARBONYL CHLORIDE | CAS Number 67305-24-2

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67305-24-2 | 5-METHYL-4-ISOXAZOLECARBONYL CHLORIDE

CAS No: 67305-24-2 Catalog No: AG00FD1A MDL No:MFCD03411599

Product Description

Catalog Number:

AG00FD1A

Chemical Name:

5-METHYL-4-ISOXAZOLECARBONYL CHLORIDE

CAS Number:

67305-24-2

Molecular Formula:

C5H4ClNO2

Molecular Weight:

145.5438

MDL Number:

MFCD03411599

IUPAC Name:

5-methyl-1,2-oxazole-4-carbonyl chloride

InChI:

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

InChI Key:

ZKAQPVQEYCFRTK-UHFFFAOYSA-N

SMILES:

Cc1oncc1C(=O)Cl

Properties

Complexity:

128

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

144.993g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

145.542g/mol

Monoisotopic Mass:

144.993g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
5-Methyl-N-[2-(trifluoro-meth-yl)phen-yl]isoxazole-4-carboxamide.	Acta crystallographica. Section E, Structure reports online 20120501
N-(2,6-Dichloro-phen-yl)-5-methyl-1,2-oxazole-4-carboxamide monohydrate.	Acta crystallographica. Section E, Structure reports online 20111201
N-(4-Chloro-2-nitro-phen-yl)-5-methyl-isoxazole-4-carboxamide.	Acta crystallographica. Section E, Structure reports online 20111201
Preparation of 3-acetoacetylaminobenzo[b]furan derivatives with cysteinyl leukotriene receptor 2 antagonistic activity.	Organic & biomolecular chemistry 20030921