Meso-tetrakis(4-chlorophenyl)porphyrin-Fe(III)chloride

Catalog Number	ACM36965705
CAS	36965-70-5
Synonyms	5,10,15,20-Tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin;trichloroiron
Molecular Weight	914.7
Molecular Formula	C44H26Cl7FeN4
Canonical SMILES	C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)Cl)C8=CC=C(C=C8)Cl)C=C4)C9=CC=C(C=C9)Cl)N3)Cl.Cl[Fe](Cl)Cl
InChI	InChI=1S/C44H26Cl4N4.3ClH.Fe/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27;/h1-24,49,52H;3*1H;/q;+3/p-3
InChI Key	NHYPGHVTVBOYNQ-UHFFFAOYSA-K
Purity	97%
Complexity	981
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	912.929701
Heavy Atom Count	56
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Monoisotopic Mass	910.932651
Rotatable Bond Count	4
Topological Polar Surface Area	57.4 Ų