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12582-61-5 | IRON (III) MESO-TETRAPHENYLPORPHINE-MU-OXO DIMER
CAS No: 12582-61-5 Catalog No: AG003R1D MDL No:MFCD00058898
Product Description
Catalog Number:
AG003R1D
Chemical Name:
IRON (III) MESO-TETRAPHENYLPORPHINE-MU-OXO DIMER
CAS Number:
12582-61-5
MDL Number:
MFCD00058898
IUPAC Name:
iron(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide;hydrate
InChI:
InChI=1S/2C44H28N4.2Fe.H2O/c2*1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;;;/h2*1-28H;;;1H2/q2*-2;2*+2;
InChI Key:
JTFKJCUSDKAMIA-UHFFFAOYSA-N
Properties
Complexity:
2910
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1354.343g/mol
Formal Charge:
0
Heavy Atom Count:
99
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
1355.177g/mol
Monoisotopic Mass:
1354.343g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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