(4-Ethoxycarbonylbutyl)triphenylphosphonium bromide - CAS 118026-77-0
Catalog: |
BB043046 |
Product Name: |
(4-Ethoxycarbonylbutyl)triphenylphosphonium bromide |
CAS: |
118026-77-0 |
Synonyms: |
(5-Ethoxy-5-oxo-pentyl)-triphenyl-phosphonium bromide; ACMC-1AO4C; CTK4J9647; Ethyl 5-(triphenylphosphonio)valerate Bromide; (5-Ethoxy-5-oxopentyl)(triphenyl)phosphanium bromide; Phosphonium,[1-(ethoxycarbonyl)butyl]triphenyl-, bromide (1:1) |
IUPAC Name: | (5-ethoxy-5-oxopentyl)-triphenylphosphanium;bromide |
Description: | (4-Ethoxycarbonylbutyl)triphenylphosphonium bromide (CAS# 118026-77-0 ) is a useful research chemical. |
Molecular Weight: | 471.37 |
Molecular Formula: | C25H28BrO2P |
Canonical SMILES: | CCOC(=O)CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-] |
InChI: | InChI=1S/C25H28O2P.BrH/c1-2-27-25(26)20-12-13-21-28(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24;/h3-11,14-19H,2,12-13,20-21H2,1H3;1H/q+1;/p-1 |
InChI Key: | WIZBVXRRVWMYTB-UHFFFAOYSA-M |
Complexity: | 400 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 470.10103 |
Formal Charge: | 0 |
Heavy Atom Count: | 29 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 470.10103 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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