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138916-83-3 | Cobalt(8+), (copper)[μ5-[2,3,4,5,6,7,8,9,10,11,12,13,20,21,22,23,24,25,26,27,28,29,30,31,37,38,39,40,41,42,43,44,45,46,47,48,49,55,56,57,58,59,60,61,62,63,64,65,66,67-pentacontahydro-1H,19H,73H,75H-tetrakis[2,5,9,12]benzotetraazacyclopentadecino[15,16-b:15',16'-g:15'',16''-l:15''',16'''-q]porphyrazinato(2-)-N2,N5,N9,N12:N20,N23,N27,N29:N38,N41,N45,N48:N56,N59,N63,N66:N73,N74,N75,N76]]tetra-, octaperchlorate (9CI)
CAS No: 138916-83-3 Catalog No: AG0019TU MDL No:
Product Description
Catalog Number:
AG0019TU
Chemical Name:
Cobalt(8+), (copper)[μ5-[2,3,4,5,6,7,8,9,10,11,12,13,20,21,22,23,24,25,26,27,28,29,30,31,37,38,39,40,41,42,43,44,45,46,47,48,49,55,56,57,58,59,60,61,62,63,64,65,66,67-pentacontahydro-1H,19H,73H,75H-tetrakis[2,5,9,12]benzotetraazacyclopentadecino[15,16-b:15',16'-g:15'',16''-l:15''',16'''-q]porphyrazinato(2-)-N2,N5,N9,N12:N20,N23,N27,N29:N38,N41,N45,N48:N56,N59,N63,N66:N73,N74,N75,N76]]tetra-, octaperchlorate (9CI)
CAS Number:
138916-83-3
IUPAC Name:
6-[3,5-bis(6-carboxynaphthalen-2-yl)phenyl]naphthalene-2-carboxylic acid
InChI:
InChI=1S/C39H24O6/c40-37(41)31-10-7-22-13-28(4-1-25(22)16-31)34-19-35(29-5-2-26-17-32(38(42)43)11-8-23(26)14-29)21-36(20-34)30-6-3-27-18-33(39(44)45)12-9-24(27)15-30/h1-21H,(H,40,41)(H,42,43)(H,44,45)
InChI Key:
VTROUXWDAQESAI-UHFFFAOYSA-N
Properties
Complexity:
942
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
588.157g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
588.615g/mol
Monoisotopic Mass:
588.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
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