| CAS Number | 159085-21-9 |
| Catalog Number | AG001QGL(AGN-PC-015JSO) |
| Chemical Name | Phosphonium, (4-iodobutyl)triphenyl-, iodide (1:1) |
| IUPAC Name | 4-iodobutyl(triphenyl)phosphanium;iodide |
| InChI | InChI=1S/C22H23IP.HI/c23-18-10-11-19-24(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2;1H/q+1;/p-1 |
| InChI Key | XWDMWKLGLADJFM-UHFFFAOYSA-M |
| MDL Number | MFCD12048869 |
| Molecular Formula | C22H23I2P |
| Molecular Weight | 572.2007 |
| SMILES | [I-].ICCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonyms | 159085-21-9,
(4-Iodobutyl)(triphenyl)phosphanium iodide,
SCHEMBL16485879,
CTK0E6983,
DTXSID40587901,
Phosphonium, (4-iodobutyl)triphenyl-, iodide,
Phosphonium, (4-iodobutyl)triphenyl-, iodide (1:1),
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| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 571.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 572.209g/mol |
| Monoisotopic Mass | 571.963g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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