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Ethyl 5-Chloro-4-methylisoxazole-3-carboxylate

Ethyl 5-Chloro-4-methylisoxazole-3-carboxylate - CAS 3356-96-5

Catalog:	BB021779
Product Name:	Ethyl 5-Chloro-4-methylisoxazole-3-carboxylate
CAS:	3356-96-5
Synonyms:	5-chloro-4-methyl-3-isoxazolecarboxylic acid ethyl ester; ethyl 5-chloro-4-methyl-1,2-oxazole-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 5-chloro-4-methyl-1,2-oxazole-3-carboxylate
Description:	Ethyl 5-Chloro-4-methylisoxazole-3-carboxylate (CAS# 3356-96-5) is a useful research chemical.
Molecular Weight:	189.60
Molecular Formula:	C7H8ClNO3
Canonical SMILES:	CCOC(=O)C1=NOC(=C1C)Cl
InChI:	InChI=1S/C7H8ClNO3/c1-3-11-7(10)5-4(2)6(8)12-9-5/h3H2,1-2H3
InChI Key:	JJDXFKFEDCSVIB-UHFFFAOYSA-N
Boiling Point:	274 °C at 760 mmHg
Density:	1.28 g/cm³
MDL:	MFCD11520431
LogP:	1.81310

Publication Number	Title	Priority Date
AU-732455-B2	Substituted 1,2,4-triazolo{3,4-a}phthalazine derivatives as gaba alpha 5 ligands	19970508
CA-2288789-C	Substituted 1,2,4-triazolo[3,4-a]phthalazine derivatives as gaba alpha 5 ligands	19970508
EP-0986562-A1	Substituted 1,2,4-triazolo 3,4-a]phthalazine derivatives as gaba alpha 5 ligands	19970508
EP-0986562-B1	Substituted 1,2,4-triazolo 3,4-a]phthalazine derivatives as gaba alpha 5 ligands	19970508
JP-4672820-B2	Substituted 1,2,4-triazolo [3,4-a] phthalazine derivatives as GABAÎ±5 ligands	19970508

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Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.0192708
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	189.0192708
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2