Protoporphyrin IX cobalt chloride

• CAS: 102601-60-5
• Catalog Number: ACM102601605
• Category: Other Products
• Molecular Weight: 655.037g/mol
• Molecular Formula: C34H32ClCoN4O4
• Synonyms: Protoporphyrin IX cobalt chloride;102601-60-5;Co(iii) protoporphyrin ix 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+)
• Canonical SMILES: CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CCC(=O)O)CCC(=O)O)C)C(=C3C)C=C)C=C.Cl[Co+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
• Storage: 2-8°C
• Complexity: 1590
• Covalently-Bonded Unit Count: 2
• Exact Mass: 654.144g/mol
• H-Bond Acceptor: 8
• H-Bond Donor: 2
• Heavy Atom Count: 44
• Monoisotopic Mass: 654.144g/mol
• Rotatable Bond Count: 8
• Topological Polar Surface Area: 101A^2