| CAS Number | 93869-52-4 |
| Catalog Number | AG00IME8(AGN-PC-00PCM1) |
| Chemical Name | Phosphine oxide, bis(4-bromophenyl)phenyl- |
| IUPAC Name | 1-bromo-4-[(4-bromophenyl)-phenylphosphoryl]benzene |
| InChI | InChI=1S/C18H13Br2OP/c19-14-6-10-17(11-7-14)22(21,16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H |
| InChI Key | URGNHDJCYWEAKG-UHFFFAOYSA-N |
| MDL Number | MFCD30536725 |
| Molecular Formula | C18H13Br2OP |
| Molecular Weight | 436.0770 |
| SMILES | C1=CC=C(C=C1)P(=O)(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br |
| Synonyms | bis(4-bromophenyl)phenylphosphine oxide,
93869-52-4,
SCHEMBL2678331,
URGNHDJCYWEAKG-UHFFFAOYSA-N,
bis(4-bromophenyl)(phenyl)phosphine oxide,
B5532,
|
| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 435.905g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 436.083g/mol |
| Monoisotopic Mass | 433.907g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
Lot Number