5-Amino-3-(4-chlorophenyl)isoxazole - CAS 33866-48-7

Catalog:	BB021873
Product Name:	5-Amino-3-(4-chlorophenyl)isoxazole
CAS:	33866-48-7
Synonyms:	3-(4-chlorophenyl)-1,2-oxazol-5-amine

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Computed Properties

IUPAC Name:	3-(4-chlorophenyl)-1,2-oxazol-5-amine
Description:	5-Amino-3-(4-chlorophenyl)isoxazole (CAS# 33866-48-7) is a useful research chemical.
Molecular Weight:	194.62
Molecular Formula:	C9H7ClN2O
Canonical SMILES:	C1=CC(=CC=C1C2=NOC(=C2)N)Cl
InChI:	InChI=1S/C9H7ClN2O/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,11H2
InChI Key:	KRQFEURBUJROHA-UHFFFAOYSA-N
Boiling Point:	404.5 °C at 760 mmHg
Density:	1.342 g/cm³
Appearance:	Solid
MDL:	MFCD01569450
LogP:	3.15840

Publication Number	Title	Priority Date
WO-2020043866-A1	Compounds	20180831
EP-3843844-A1	Compounds	20180831
US-2021171475-A1	Compounds	20180831
JP-2019201631-A	Synthesis of therapeutic microvesicles and stem cells	20180126
US-2021054344-A1	Cpc exosomes mirna373 combination therapies	20180126

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Related Functional Groups

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5-(3,4-Dichlorophenyl)isoxazole-3-carbonyl chloride

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.0246905
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	194.0246905
Rotatable Bond Count:	1
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3