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87261-83-4 | Sn(IV) meso-Tetra (4-Pyridyl) Porphine Dichloride
CAS No: 87261-83-4 Catalog No: AG00GUXD MDL No:MFCD18070955
Product Description
Catalog Number:
AG00GUXD
Chemical Name:
Sn(IV) meso-Tetra (4-Pyridyl) Porphine Dichloride
CAS Number:
87261-83-4
Molecular Formula:
C40H24Cl2N8Sn
Molecular Weight:
806.2792
MDL Number:
MFCD18070955
IUPAC Name:
22,22-dichloro-2,7,12,17-tetrapyridin-4-yl-21,23,24,25-tetraza-22-stannahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1(20),2,4,6(25),7,9,11,13(24),14,16,18-undecaene
InChI:
InChI=1S/C40H24N8.2ClH.Sn/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25;;;/h1-24H;2*1H;/q-2;;;+4/p-2
InChI Key:
ZNPXIJCSDMQAQK-UHFFFAOYSA-L
SMILES:
Cl[Sn]1(Cl)n2c3ccc2/C(=C\2/C=CC(=N2)/C(=c/2\n1/c(=C(\C1=N/C(=C\3/c3ccncc3)/C=C1)/c1ccncc1)/cc2)/c1ccncc1)/c1ccncc1
Properties
Complexity:
1510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
806.052g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
806.298g/mol
Monoisotopic Mass:
806.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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