| CAS Number | 55266-18-7 |
| Catalog Number | AG00DF2T(AGN-PC-01495K) |
| Chemical Name | Mn(III) Meso-Tetra (4-carboxyphenyl) porphine chloride |
| IUPAC Name | 4-[10-(4-carboxylatophenyl)-15,20-bis(4-carboxyphenyl)-21H-porphyrin-22-id-5-yl]benzoate;manganese(3+);hydrochloride |
| InChI | InChI=1S/C48H30N4O8.ClH.Mn/c53-45(54)29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(12-4-26)46(55)56)37-21-23-39(51-37)44(28-7-15-32(16-8-28)48(59)60)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(14-6-27)47(57)58;;/h1-24H,(H6,49,50,51,52,53,54,55,56,57,58,59,60);1H;/q;;+3/p-3 |
| InChI Key | XHVDAQLNUQLQKW-UHFFFAOYSA-K |
| MDL Number | MFCD06227760 |
| Molecular Formula | C48H24ClMnN4O8 |
| Molecular Weight | 876.1251 |
| SMILES | [H+].c1cc(ccc1C2=C3C=CC4=C(C5=[N]6C(=C(C7=CC=C8[N-]7[Mn+3]6([N-]34)([N]9=C2C=CC9=C8c1ccc(cc1)C(=O)[O-])[Cl-])c1ccc(cc1)C(=O)[O-])C=C5)c1ccc(cc1)C(=O)[O-])C(=O)[O-] |
| Synonyms | MnTBAP chloride,
55266-18-7,
B5964,
Mn(III) meso-Tetra (4-carboxyphenyl) porphine chloride,
|
| Complexity | 1520 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 878.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 62 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 879.16g/mol |
| Monoisotopic Mass | 878.098g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 197A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number