| CAS Number | 1808959-38-7 |
| Catalog Number | AG01FR9C(AGN-PC-3H5PKF) |
| Chemical Name | Bis(3-trifluoromethylphenyl)(3-carboxyphenyl)phosphine, min. 97% m-Miranphos |
| IUPAC Name | 3-bis[3-(trifluoromethyl)phenyl]phosphanylbenzoic acid |
| InChI | InChI=1S/C21H13F6O2P/c22-20(23,24)14-5-2-8-17(11-14)30(16-7-1-4-13(10-16)19(28)29)18-9-3-6-15(12-18)21(25,26)27/h1-12H,(H,28,29) |
| InChI Key | VRIGWWPLYWSZDE-UHFFFAOYSA-N |
| MDL Number | MFCD27978397 |
| Molecular Formula | C21H13F6O2P |
| Molecular Weight | 442.2909 |
| SMILES | OC(=O)c1cccc(c1)P(c1cccc(c1)C(F)(F)F)c1cccc(c1)C(F)(F)F |
| Synonyms | |
| Complexity | 559 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 442.055736g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 442.3g/mol |
| Monoisotopic Mass | 442.055736g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.9 |
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