Isoxazolidine Hydrochloride - CAS 39657-45-9

Catalog:	BB024077
Product Name:	Isoxazolidine Hydrochloride
CAS:	39657-45-9
Synonyms:	isoxazolidine;hydrochloride; 1,2-oxazolidine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	1,2-oxazolidine;hydrochloride
Description:	Isoxazolidine Hydrochloride (CAS# 39657-45-9) is used to form isoxazolidides by high yield acylation.
Molecular Weight:	109.55
Molecular Formula:	C3H8ClNO
Canonical SMILES:	C1CNOC1.Cl
InChI:	InChI=1S/C3H7NO.ClH/c1-2-4-5-3-1;/h4H,1-3H2;1H
InChI Key:	HPIVVOQIZYNVJE-UHFFFAOYSA-N
Appearance:	Solid
MDL:	MFCD11100465
LogP:	1.04210

Publication Number	Title	Priority Date
WO-2021164746-A1	Substituted aryl compound	20200219
CN-111333590-A	Preparation method of isoxazolidine hydrochloride	20181218
JP-2021509113-A	Heterocyclic amide as a kinase inhibitor	20171229
CN-109867624-B	3-fluoro-5-chloropyridinyloxy phenoxypropanamide compound and application thereof	20171202
AU-2018238079-A1	Novel pyridone carboxylic acid derivative or salt thereof	20170324

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	30.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	109.0294416
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	109.0294416
Rotatable Bond Count:	0
Topological Polar Surface Area:	21.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0