3-Chloro-5-methylisoxazole - CAS 54536-85-5

Catalog:	BB028712
Product Name:	3-Chloro-5-methylisoxazole
CAS:	54536-85-5
Synonyms:	3-chloro-5-methylisoxazole; 3-chloro-5-methyl-1,2-oxazole

Technical Data

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Computed Properties

IUPAC Name:	3-chloro-5-methyl-1,2-oxazole
Description:	3-Chloro-5-methylisoxazole (CAS# 54536-85-5) is a useful research chemical.
Molecular Weight:	117.53
Molecular Formula:	C4H4ClNO
Canonical SMILES:	CC1=CC(=NO1)Cl
InChI:	InChI=1S/C4H4ClNO/c1-3-2-4(5)6-7-3/h2H,1H3
InChI Key:	HAIYJMDKRRQFAJ-UHFFFAOYSA-N
LogP:	1.63640

Publication Number	Title	Priority Date
CN-109053617-A	A kind of industrial production process of radonil	20180828
US-2019367530-A1	Thienopyranones and Furanopyranones as Kinase, Bromodomain, and Checkpoint Inhibitors	20170127
WO-2014168522-A1	Glutarimide derivatives, use thereof, pharmaceutical composition based thereon and methods for producing glutarimide derivatives	20130412
US-2011183842-A1	Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them	20081007
US-2011190122-A1	Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them	20081007

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Related Functional Groups

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GHS Hazard Statement:	H227 (100%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	68.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	116.9981414
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	116.9981414
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4