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Ethyl 6-(4-Chlorophenoxy)hexanoate

CAT: 0572-TRC-B126018-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B126018-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1410382-45-4
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CCOC(=O)CCCCCOc1ccc(Cl)cc1
Molecular Formula
C14H19O3Cl
Molecular Weight
270.75
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Ethyl 6-(4-chlorophenoxy)hexanoate
CAS Number1410382-45-4
PubChem CID64293888
IUPAC Nameethyl 6-(4-chlorophenoxy)hexanoate
Molecular FormulaC14H19ClO3
Molecular Weight270.75
XLogP3.8
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count18
Formal Charge0
Complexity225
SMILES
CCOC(=O)CCCCCOC1=CC=C(C=C1)Cl
InChI
InChI=1S/C14H19ClO3/c1-2-17-14(16)6-4-3-5-11-18-13-9-7-12(15)8-10-13/h7-10H,2-6,11H2,1H3
InChIKey
VFCVLDTUBBHKKY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 6-(4-chlorophenoxy)hexanoate
CAS: 1410382-45-4
CID: 64293888
Formula: C14H19ClO3
MW: 270.75
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.75
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass270.1022722
Monoisotopic Mass270.1022722
Topological Polar Surface Area35.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity225
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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