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

5-(3,4-Dichlorophenyl)isoxazole-3-carbonyl chloride - CAS 861433-83-2

Catalog:	BB049484
Product Name:	5-(3,4-Dichlorophenyl)isoxazole-3-carbonyl chloride
CAS:	861433-83-2
Synonyms:	5-(3,4-dichlorophenyl)isoxazole-3-carbonylchloride

Technical Data

Computed Properties

IUPAC Name:	5-(3,4-dichlorophenyl)-1,2-oxazole-3-carbonyl chloride
Description:	5-(3,4-Dichlorophenyl)isoxazole-3-carbonyl chloride (CAS# 861433-83-2 ) is a useful research chemical.
Molecular Weight:	276.5
Molecular Formula:	C10H4Cl3NO2
Canonical SMILES:	C1=CC(=C(C=C1C2=CC(=NO2)C(=O)Cl)Cl)Cl
InChI:	InChI=1S/C10H4Cl3NO2/c11-6-2-1-5(3-7(6)12)9-4-8(10(13)15)14-16-9/h1-4H
InChI Key:	RUEXWAIEVXEQBU-UHFFFAOYSA-N
Boiling Point:	426.8±45.0 °C at 760 mmHg
Density:	1.5±0.1 g/cm³

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Halides

[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[98447-30-4]
2-Bromo-4-methoxynitrobenzene
[712347-12-1]
3-(2-Chloro-6-fluorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid
[832740-55-3]
3-[(4-Chloro-2-methylphenoxy)methyl]-4-methoxybenzaldehyde
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole

Isoxazoles

[1011398-65-4]
6-(4-(Difluoromethoxy)phenyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid
[40279-32-1]
Ethyl 2-(methylthio)-1,3-thiazole-4-carboxylate
[383146-88-1]
Ethyl 4-methyl-2-(pyridin-2-yl)thiazole-5-carboxylate
[33277-15-5]
Ethyl 5-(4-bromophenyl)isoxazole-3-carboxylate
[640291-92-5]
Ethyl 5-(4-fluorophenyl)isoxazole-3-carboxylate
[3209-72-1]
Ethyl 5-methylisoxazole-3-carboxylate

Complexity:	277
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	274.930761
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	274.930761
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1