| CAS Number | 338800-20-7 |
| Catalog Number | AG00CLRO(AGN-PC-0R9DJ3) |
| Chemical Name | 1,3-Bis[(di-tert-butylphosphino)oxy]benzene |
| IUPAC Name | ditert-butyl-(3-ditert-butylphosphanyloxyphenoxy)phosphane |
| InChI | InChI=1S/C22H40O2P2/c1-19(2,3)25(20(4,5)6)23-17-14-13-15-18(16-17)24-26(21(7,8)9)22(10,11)12/h13-16H,1-12H3 |
| InChI Key | WSKMTURBCLMNEL-UHFFFAOYSA-N |
| MDL Number | MFCD28975098 |
| Molecular Formula | C22H40O2P2 |
| Molecular Weight | 398.4993 |
| SMILES | CC(C)(C)P(OC1=CC(OP(C(C)(C)C)C(C)(C)C)=CC=C1)C(C)(C)C |
| Synonyms | 1,3-Bis[(di-tert-butylphosphino)oxy]benzene,
338800-20-7,
SCHEMBL1466187,
MFCD28975098,
ZINC39366222,
1,3-bis(di-tert-butylphosphinooxy)benzene,
B4595,
|
| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 398.25g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 398.508g/mol |
| Monoisotopic Mass | 398.25g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number