Ethyl 5-Chloroisoxazole-3-carboxylate - CAS 343566-56-3

Catalog:	BB022087
Product Name:	Ethyl 5-Chloroisoxazole-3-carboxylate
CAS:	343566-56-3
Synonyms:	5-chloro-3-isoxazolecarboxylic acid ethyl ester; ethyl 5-chloro-1,2-oxazole-3-carboxylate

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Computed Properties

IUPAC Name:	ethyl 5-chloro-1,2-oxazole-3-carboxylate
Description:	Ethyl 5-Chloroisoxazole-3-carboxylate (CAS# 343566-56-3) is a useful research chemical.
Molecular Weight:	175.57
Molecular Formula:	C6H6ClNO3
Canonical SMILES:	CCOC(=O)C1=NOC(=C1)Cl
InChI:	InChI=1S/C6H6ClNO3/c1-2-10-6(9)4-3-5(7)11-8-4/h3H,2H2,1H3
InChI Key:	NXEVNGXFHGZHPC-UHFFFAOYSA-N
LogP:	0.00000

Publication Number	Title	Priority Date
US-2019330198-A1	Compounds and uses thereof	20180425
WO-2019209962-A1	Compounds and uses thereof	20180425
CN-112566636-A	Compound and use thereof	20180425
EP-3784234-A1	Compounds and uses thereof	20180425
US-10919885-B2	Compounds and uses thereof	20180425

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Related Functional Groups

Carbonyl Compounds

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[17746-05-3]
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[1006443-01-1]
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.0036207
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	175.0036207
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9