1-Chloro-2,5-tetradecadiyne - CAS 111226-26-7
Catalog: |
BB070562 |
Product Name: |
1-Chloro-2,5-tetradecadiyne |
CAS: |
111226-26-7 |
Synonyms: |
1-chlorotetradeca-2,5-diyne; 1-chloro-2,5-tetradecadiyne |
IUPAC Name: | 1-chlorotetradeca-2,5-diyne |
Description: | 1-Chloro-2,5-tetradecadiyne is an intermediate in the synthesis of ETI (E936910), which is a leukotriene antagonist and selective 5-LO (5-lipoxygenase) inhibitor. |
Molecular Weight: | 224.77 |
Molecular Formula: | C14H21Cl |
Canonical SMILES: | CCCCCCCCC#CCC#CCCl |
InChI: | InChI=1S/C14H21Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-8,11,14H2,1H3 |
InChI Key: | NKCWGYITRCSPRU-UHFFFAOYSA-N |
Appearance: | Yellow Liquid |
Storage: | 4°C |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.1331784 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.1331784 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 0Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.8 |
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