Cr(III) mesoporphyrin IX chloride

Catalog Number	ACM70948719-1
CAS	70948-71-9
Synonyms	8,13-Bis(ethyl)-3,7,12,17-tetramethyl-21h, 23h-porphine-2,18-dipropionic acid chromium(III) chloride
Molecular Weight	652.1
Molecular Formula	C34H36ClCrN4O4
Canonical SMILES	CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CC)C)CCC(=O)O)C(=C3C)CCC(=O)O)C.Cl[Cr+2]
InChI	InChI=1S/C34H38N4O4.ClH.Cr/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h13-16H,7-12H2,1-6H3,(H4,35,36,37,38,39,40,41,42);1H;/q;+3/p-3
InChI Key	FIWFYHUJMMDKCG-UHFFFAOYSA-K
Melting Point	>300 ℃
Purity	95%
Complexity	1520
Covalently-Bonded Unit Count	2
Exact Mass	651.183013
Heavy Atom Count	44
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
MDL Number	MFCD03425956
Monoisotopic Mass	651.183013
Rotatable Bond Count	8
Topological Polar Surface Area	101 Ų