5-(4-Chlorophenyl)isoxazole-3-carboxylic acid - CAS 33282-22-3

Name: 5-(4-Chlorophenyl)isoxazole-3-carboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB021647
Product Name:	5-(4-Chlorophenyl)isoxazole-3-carboxylic acid
CAS:	33282-22-3
Synonyms:	5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
Description:	5-(4-Chlorophenyl)isoxazole-3-carboxylic acid (CAS# 33282-22-3) is a useful research chemical.
Molecular Weight:	223.61
Molecular Formula:	C10H6ClNO3
Canonical SMILES:	C1=CC(=CC=C1C2=CC(=NO2)C(=O)O)Cl
InChI:	InChI=1S/C10H6ClNO3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14)
InChI Key:	CRTZVRLESCICCT-UHFFFAOYSA-N
Boiling Point:	457.3 °C at 760 mmHg
MDL:	MFCD06010034
LogP:	2.69320

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Related Functional Groups

Isoxazoles

[861433-83-2]C10H4Cl3NO2
5-(3,4-Dichlorophenyl)isoxazole-3-carbonyl chloride
[326829-08-7]C5H8ClNO
3-Chloro-5,5-dimethyl-4,5-dihydroisoxazole
[100189-59-1]C11H12N2O3
Ethyl 5-(2-pyridyl)-4,5-dihydroisoxazole-3-carboxylate
[33277-15-5]C12H10BrNO3
Ethyl 5-(4-bromophenyl)isoxazole-3-carboxylate
[625120-13-0]C7H6F3NO3
Ethyl 5-(trifluoromethyl)isoxazole-3-carboxylate
[7063-99-2]C12H11NO3
Ethyl 5-phenylisoxazole-3-carboxylate

GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021073643-A1	Drug for treating non-alcoholic steatohepatitis	20191018
JP-2019201631-A	Synthesis of therapeutic microvesicles and stem cells	20180126
US-2021054344-A1	Cpc exosomes mirna373 combination therapies	20180126
AU-2018360857-A1	Modulators of the integrated stress pathway	20171102
CA-3080806-A1	Modulators of the integrated stress pathway	20171102

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.0036207
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	223.0036207
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6