5-Chloro-3-methylisoxazole - CAS 1314938-49-2

Catalog:	BB007429
Product Name:	5-Chloro-3-methylisoxazole
CAS:	1314938-49-2
Synonyms:	5-chloro-3-methylisoxazole; 5-chloro-3-methyl-1,2-oxazole

Technical Data

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Computed Properties

IUPAC Name:	5-chloro-3-methyl-1,2-oxazole
Description:	5-Chloro-3-methylisoxazole (CAS# 1314938-49-2 ) is a useful research chemical.
Molecular Weight:	117.53
Molecular Formula:	C4H4ClNO
Canonical SMILES:	CC1=NOC(=C1)Cl
InChI:	InChI=1S/C4H4ClNO/c1-3-2-4(5)7-6-3/h2H,1H3
InChI Key:	JKYWQVCSFFZMSB-UHFFFAOYSA-N
LogP:	1.63640

Publication Number	Title	Priority Date
US-11000038-B2	Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients	20170410
US-2019367530-A1	Thienopyranones and Furanopyranones as Kinase, Bromodomain, and Checkpoint Inhibitors	20170127
US-2013053396-A1	Piperidine and piperazine derivatives as smo antagonists	20090922
US-2009042919-A1	Method for modulating gpr119 g protein-coupled receptor and selected compounds	20070717
US-2011190327-A1	Method for modulating gpr119 g protein-coupled receptor and selected compounds	20070717

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Related Functional Groups

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[326829-08-7]
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[33277-15-5]
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Ethyl 5-(4-fluorophenyl)isoxazole-3-carboxylate

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GHS Hazard Statement:	H302 (100%): 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:	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:	1.7