Protoporphyrin IX cobalt chloride

CAS
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CAS
102601-60-5
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Catalog Number

ACM102601605

Product Name

Protoporphyrin IX cobalt chloride

Structure

CAS

102601-60-5

Category

Heterocyclic Organic Compound

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+);

Molecular Weight

655.037g/mol

Molecular Formula

C34H32ClCoN4O4;

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

Exact Mass

654.144g/mol

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

654.144g/mol

Rotatable Bond Count

Topological Polar Surface Area

101A^2

MSDS

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COA

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Spec Sheet

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