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24804-00-0 | 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine palladium(II)
CAS No: 24804-00-0 Catalog No: AG003FFX MDL No:MFCD00192364
Product Description
Catalog Number:
AG003FFX
Chemical Name:
2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine palladium(II)
CAS Number:
24804-00-0
Molecular Formula:
C36H44N4Pd
Molecular Weight:
639.1814
MDL Number:
MFCD00192364
IUPAC Name:
2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;palladium(2+)
InChI:
InChI=1S/C36H44N4.Pd/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/q-2;+2
InChI Key:
FVPOYVGWFFRIHG-UHFFFAOYSA-N
SMILES:
CCC1=C(CC)/C/2=C/c3c(CC)c(c4n3[Pd]n3/c(=C\C1=N2)/c(CC)c(/c/3=C/C1=N/C(=C\4)/C(=C1CC)CC)CC)CC
Properties
Complexity:
1150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
638.26g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
639.196g/mol
Monoisotopic Mass:
638.26g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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