Iron(2+);10,12,13,23-tetrakis(2,3,4,5,6-pentafluorophenyl)-21H-porphyrin;dichloride

Catalog Number	ACM36965716-2
CAS	36965-71-6
Structure
Synonyms	5,10,15,20-Tetrakis(pentafluorophenyl)porphyrin iron(III) chloride
Molecular Weight	1101.3
Molecular Formula	C44H10Cl2F20FeN4
Canonical SMILES	C1=CC2=CC3=NC(=C(C4=C(C(=C(N4C5=C(C(=C(C(=C5F)F)F)F)F)C=C6C=CC(=N6)C=C1N2)C7=C(C(=C(C(=C7F)F)F)F)F)C8=C(C(=C(C(=C8F)F)F)F)F)C9=C(C(=C(C(=C9F)F)F)F)F)C=C3.[Cl-].[Cl-].[Fe+2]
InChI	InChI=1S/C44H10F20N4.2ClH.Fe/c45-23-20(24(46)30(52)35(57)29(23)51)17-15-6-5-13(67-15)8-12-2-1-10(65-12)7-11-3-4-14(66-11)9-16-18(21-25(47)31(53)36(58)32(54)26(21)48)19(22-27(49)33(55)37(59)34(56)28(22)50)43(17)68(16)44-41(63)39(61)38(60)40(62)42(44)64;/h1-9,65H;2*1H;/q;+2/p-2
InChI Key	OFOJZPSXEPSRPZ-UHFFFAOYSA-L
Purity	95%+
Exact Mass	1099.931251
Hydrogen Bond Acceptor Count	24
Hydrogen Bond Donor Count	1
Monoisotopic Mass	1099.931251
Rotatable Bond Count	4
Topological Polar Surface Area	46.5 Ų