25511-95-9
(TETRACARBOXYPHTHALOCYANINATO)COBALT(II)
Name(TETRACARBOXYPHTHALOCYANINATO)COBALT(II)
1Identification
【Name】
(TETRACARBOXYPHTHALOCYANINATO)COBALT(II)
【CAS】
【MDL】
MFCD03427524
【English Synonyms】
【Formula】
C36H16CoN8O8
【MolWeight】
747.503
【Inchi】
InChI=1S/C36H18N8O8.Co/c45-33(46)13-1-5-17-21(9-13)29-37-25(17)41-30-22-10-14(34(47)48)2-6-18(22)27(38-30)43-32-24-12-16(36(51)52)4-8-20(24)28(40-32)44-31-23-11-15(35(49)50)3-7-19(23)26(39-31)42-29;/h1-12H,(H6,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52);/q;+2/p-2
【InChIKey】
InChIKey=ADOOKKARKXDTNS-UHFFFAOYSA-L
【SMILES】
OC(=O)C1=CC2=C(C=C1)\C1=N\C3=C4C=C(C=CC4=C4\N=C5/N=C(/N=C6\N([Co]N34)\C(=N/C2=N1)C1=C6C=C(C=C1)C(O)=O)C1=C5C=C(C=C1)C(O)=O)C(O)=O
【MOL File】
(TETRACARBOXYPHTHALO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:16
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(TETRACARBOXYPHTHALOCYANINATO)COBALT(II).cml