| CAS Number | 88462-46-8 |
| Catalog Number | AG008CBR(AGN-PC-0NCSYU) |
| Chemical Name | Phosphonium, (8-carboxyoctyl)triphenyl-, bromide |
| IUPAC Name | 8-carboxyoctyl(triphenyl)phosphanium;bromide |
| InChI | InChI=1S/C27H31O2P.BrH/c28-27(29)22-14-3-1-2-4-15-23-30(24-16-8-5-9-17-24,25-18-10-6-11-19-25)26-20-12-7-13-21-26;/h5-13,16-21H,1-4,14-15,22-23H2;1H |
| InChI Key | KPSRRRHHYOTMEU-UHFFFAOYSA-N |
| MDL Number | MFCD34167234 |
| Molecular Formula | C27H32BrO2P |
| Molecular Weight | 499.4195 |
| SMILES | [Br-].C(=O)(O)CCCCCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonyms | Phosphonium, (8-carboxyoctyl)triphenyl-, bromide,
88462-46-8,
8-carboxyoctyl-triphenyl-phosphanium Bromide,
ACMC-20la2l,
SCHEMBL1006745,
CTK3B1271,
DTXSID90448255,
KPSRRRHHYOTMEU-UHFFFAOYSA-N,
(8-carboxyoctyl)triphenylphosphonium bromide,
(8-Carboxy-octyl)-triphenyl-phosphonium bromide,
CID10918084,
|
| Complexity | 428 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 498.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 499.429g/mol |
| Monoisotopic Mass | 498.132g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number