| CAS Number | 1242081-29-3 |
| Catalog Number | AG000LO4(AGN-PC-0WQUJK) |
| Chemical Name | Bromo[[1,3-bis[(4S,5S)-1-benzoyl-4,5-diphenyl-2-imidazolin-2-yl]benzene]palladium(II)] |
| IUPAC Name | [(4S,5S)-2-[3-[(4S,5S)-1-benzoyl-4,5-diphenyl-4,5-dihydroimidazol-2-yl]benzene-2-id-1-yl]-4,5-diphenyl-4,5-dihydroimidazol-1-yl]-phenylmethanone;palladium(2+);bromide |
| InChI | InChI=1S/C50H37N4O2.BrH.Pd/c55-49(39-28-15-5-16-29-39)53-45(37-24-11-3-12-25-37)43(35-20-7-1-8-21-35)51-47(53)41-32-19-33-42(34-41)48-52-44(36-22-9-2-10-23-36)46(38-26-13-4-14-27-38)54(48)50(56)40-30-17-6-18-31-40;;/h1-33,43-46H;1H;/q-1;;+2/p-1/t43-,44-,45-,46-;;/m0../s1 |
| InChI Key | KZAGTVGVDHDPDZ-MPWDBGIYSA-M |
| MDL Number | MFCD16295192 |
| Molecular Formula | C50H37BrN4O2Pd |
| Molecular Weight | 912.1784 |
| SMILES | [Br-][Pd+2]12[N]3=C(N(C(C4=CC=CC=C4)=O)C(C5=CC=CC=C5)C3C6=CC=CC=C6)C7=[C-]1C(C8=[N]2C(C9=CC=CC=C9)C(C%10=CC=CC=C%10)N8C(C%11=CC=CC=C%11)=O)=CC=C7 |
| Synonyms | Bromo[[1,3-bis[(4S,5S)-1-benzoyl-4,5-diphenyl-2-imidazolin-2-yl]benzene]palladium(II)],
[Bz-Phebim]Pd-Br,
1242081-29-3,
J-005054,
B3553,
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| Complexity | 1430 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 910.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 58 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 912.196g/mol |
| Monoisotopic Mass | 910.113g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 65.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302+H312+H332-H315-H319
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Packing Group
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\N
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Precautionary statements
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P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
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UN Code
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\N
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Certificate of Analysis
Lot Number