Ethyl 6-(4-Chlorophenoxy)hexanoate - CAS 1410382-45-4
Catalog: |
BB061565 |
Product Name: |
Ethyl 6-(4-Chlorophenoxy)hexanoate |
CAS: |
1410382-45-4 |
Synonyms: |
ethyl 6-(4-chlorophenoxy)hexanoate; ethyl6-(4-chlorophenoxy)hexanoate |
IUPAC Name: | ethyl 6-(4-chlorophenoxy)hexanoate |
Description: | Ethyl 6-(4-chlorophenoxy)hexanoate is used as an intermediate in the preparation of (aryl)-N-(oxooxazolidinyl)-amides as potent quorum-sensing inhibitors of Pseudomonas aeruginosa. |
Molecular Weight: | 270.75 |
Molecular Formula: | C14H19O3Cl |
Canonical 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 |
InChI Key: | VFCVLDTUBBHKKY-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), DMSO (Slightly) |
Appearance: | Colourless Oil |
Storage: | 4°C |
References: | Jiang, K., et al. Eur. J. Med. Chem., 194, 112252 (2020). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2019131540-A | Novel compound having auxin biosynthesis inhibitory activity, production method thereof and use thereof | 20180130 |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.1022722 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.1022722 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 35.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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