| CAS Number | 1788085-46-0 |
| Catalog Number | AG01FQYT(AGN-PC-3H5PAK) |
| Chemical Name | racemic-Di-tert-butyl(3-(tert-butyl)-4-methoxy-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)phosphine oxide |
| IUPAC Name | 3-tert-butyl-2-ditert-butylphosphoryl-4-methoxy-2H-1,3-benzoxaphosphole |
| InChI | InChI=1S/C20H34O3P2/c1-18(2,3)24-16-14(22-10)12-11-13-15(16)23-17(24)25(21,19(4,5)6)20(7,8)9/h11-13,17H,1-10H3 |
| InChI Key | YJGCBXLKTYYGGA-UHFFFAOYSA-N |
| MDL Number | MFCD31707611 |
| Molecular Formula | C20H34O3P2 |
| Molecular Weight | 384.4297 |
| SMILES | P(C(C)(C)C)(C(C)(C)C)(=O)[C@@H]1[P@@]([C@@](C)(C)C)C=2C(O1)=CC=CC2OC |
| Synonyms | 1788085-46-0,
racemic-Di-tert-butyl(3-(tert-butyl)-4-methoxy-2,3-dihydrobenzo[d][1,3]oxaphosphol-2-yl)phosphine oxide@CRLF1788085-46-0,
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| Complexity | 507 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 384.198319g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 384.4g/mol |
| Monoisotopic Mass | 384.198319g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5Ų |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
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