| CAS Number | 102601-60-5 |
| Catalog Number | AG008RMW(AGN-PC-0OROU6) |
| Chemical Name | Protoporphyrin IX cobalt chloride |
| IUPAC Name | 3-[18-(2-carboxyethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;chlorocobalt(2+) |
| InChI | InChI=1S/C34H34N4O4.ClH.Co/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3 |
| InChI Key | WWNXKQFLDNSNDN-UHFFFAOYSA-K |
| MDL Number | MFCD00216774 |
| Molecular Formula | C34H32ClCoN4O4 |
| Molecular Weight | 655.0285 |
| SMILES | O=C(CCC1=C(C)C2=[N]3C1=CC4=C(CCC(O)=O)C(C)=C5C=C6C(C=C)=C(C)C(C=C7C(C=C)=C(C)C8=C2)=[N]6[Co+3]3([N-]78)([N-]54)[Cl-])O |
| Synonyms | Protoporphyrin IX cobalt chloride,
102601-60-5,
Co(iii) protoporphyrin ix chloride,
COBALTIC PROTOPORPHYRIN IX CHLORIDE,
CID9961203,
CID 9961203,
|
| Complexity | 1590 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 654.144g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 44 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 655.037g/mol |
| Monoisotopic Mass | 654.144g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number