5- (3,4-Dichlorophenyl) isoxazole

CAT: 0127-OR5-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR5-01Size:250 mg

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CAS Number

138716-63-9

Synonyms

5- (3,4-Dichlorophenyl) -1,2-oxazole, 1,2-Dichloro-4- (isoxazol-5-yl) benzene

MDL Number

MFCD02183535

Purity

=95%

Smiles

Clc1ccc(cc1Cl)c2oncc2

Chemical Information

5-(3,4-Dichlorophenyl)isoxazole

CAS Number	138716-63-9
PubChem CID	2736053
IUPAC Name	5-(3,4-dichlorophenyl)-1,2-oxazole
Molecular Formula	C9H5Cl2NO
Molecular Weight	214.04
XLogP	3.3
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	179

SMILES

C1=CC(=C(C=C1C2=CC=NO2)Cl)Cl

InChI

InChI=1S/C9H5Cl2NO/c10-7-2-1-6(5-8(7)11)9-3-4-12-13-9/h1-5H

InChIKey

IKNOHHYCVNOHER-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 138716-63-9

CID: 2736053

Formula: C9H5Cl2NO

MW: 214.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.04
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	212.9748192
Monoisotopic Mass	212.9748192
Topological Polar Surface Area	26 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	179
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR4-01	5- (2,4-Dichlorophenyl) isoxazole
OR0364	3- (2,4-Dichlorophenyl) isoxazole
OR470199	5-Amino-3- (3,5-dichlorophenyl) isoxazole
OR27243	5- (chloromethyl) -3- (2,6-dichlorophenyl) isoxazole
OR350514	Methyl 5-cyclopropyl-3- (2,6-dichlorophenyl) isoxazole-4-carboxylate
OR97034-01	5- (3,4-Methylenedioxyphenyl) isoxazole
PC9968-01	5- (3,4-Difluorophenyl) isoxazole
OR97031-01	5- (3,4-Dimethoxyphenyl) isoxazole
OR23812	N4,5-dimethyl-N''4-phenyl-3- (2,6-dichlorophenyl) isoxazole-4-carboximidohydrazide
OR1032944-01	3- (2,4-Dichlorophenyl) isoxazol-5-amine

Catalog	Name
sc-317550	5- (3,4-Dichlorophenyl) isoxazole
sc-317468	5- (2,4-Dichlorophenyl) isoxazole
sc-277953	5- (bromomethyl) -3- (2,4-dichlorophenyl) isoxazole
274385-01	5- (2,4-Dichlorophenyl) isoxazole-3-carboxylic acid
233688-01	5- (2,4-Dichlorophenyl) isoxazole-3-carboxylic acid ≥97% (HPLC)
284389-01	3- (4-Methoxyphenyl) isoxazole
266193-01	3- (4-Bromophenyl) isoxazole
sc-298798A	3- (4-Chlorophenyl) isoxazole
sc-471555	3- (4-Fluorophenyl) isoxazole
sc-317552	5- (3,4-Difluorophenyl) isoxazole