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rac- Etomoxir

CAT: 0572-TRC-E933500-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E933500-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
82258-36-4
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
CCOC(=O)C1(CCCCCCOc2ccc(Cl)cc2)CO1
Molecular Formula
C17 H23 Cl O4
Molecular Weight
326.82
InChI
InChI=1S/C17H23ClO4/c1-2-20-16(19)17(13-22-17)11-5-3-4-6-12-21-15-9-7-14(18)8-10-15/h7-10H,2-6,11-13H2,1H3
Additionnal Information
IUPAC name: ethyl 2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Ethyl 2-(6-(4-chlorophenoxy)hexyl)-2-oxiranecarboxylate

2-[6-(4-chlorophenoxy)hexyl]-2-oxiranecarboxylic acid ethyl ester is an aromatic ether.

CAS Number82258-36-4
PubChem CID123823
IUPAC Nameethyl 2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylate
Molecular FormulaC17H23ClO4
Molecular Weight326.8
XLogP4.3
Topological Polar Surface Area48.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count22
Formal Charge0
Complexity342
SMILES
CCOC(=O)C1(CO1)CCCCCCOC2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H23ClO4/c1-2-20-16(19)17(13-22-17)11-5-3-4-6-12-21-15-9-7-14(18)8-10-15/h7-10H,2-6,11-13H2,1H3
InChIKey
DZLOHEOHWICNIL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-(6-(4-chlorophenoxy)hexyl)-2-oxiranecarboxylate
CAS: 82258-36-4
CID: 123823
Formula: C17H23ClO4
MW: 326.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.8
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass326.1284869
Monoisotopic Mass326.1284869
Topological Polar Surface Area48.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity342
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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