| CAS Number | 1808959-39-8 |
| Catalog Number | AG01FQYO(AGN-PC-3H5PAB) |
| Chemical Name | Bis(3-carboxyphenyl)(3-trifluoromethylphenyl)phosphine, min. 97% m-Miran2phos |
| IUPAC Name | 3-[(3-carboxyphenyl)-[3-(trifluoromethyl)phenyl]phosphanyl]benzoic acid |
| InChI | InChI=1S/C21H14F3O4P/c22-21(23,24)15-6-3-9-18(12-15)29(16-7-1-4-13(10-16)19(25)26)17-8-2-5-14(11-17)20(27)28/h1-12H,(H,25,26)(H,27,28) |
| InChI Key | GBOUANGEPPDUQX-UHFFFAOYSA-N |
| MDL Number | MFCD27978399 |
| Molecular Formula | C21H14F3O4P |
| Molecular Weight | 418.3024 |
| SMILES | |
| Synonyms | 1808959-39-8,
Bis(3-carboxyphenyl)(3-trifluoromethylphenyl)phosphine,
|
| Complexity | 563 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 418.05818g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 418.3g/mol |
| Monoisotopic Mass | 418.05818g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 74.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number