Mn(III) meso-tetra (4-carboxyphenyl) porphine chloride

Catalog Number	ACM55266187
CAS	55266-18-7
Synonyms	Mntbap chloride
Molecular Weight	879.16
Molecular Formula	C48H28ClMnN4O8
Canonical SMILES	C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=O)O)C8=CC=C(C=C8)C(=O)[O-])C9=CC=C(C=C9)C(=O)[O-])N3)C(=O)O.Cl.[Mn+3]
InChI	InChI=1S/C48H30N4O8.ClH.Mn/c53-45(54)29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(12-4-26)46(55)56)37-21-23-39(51-37)44(28-7-15-32(16-8-28)48(59)60)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(14-6-27)47(57)58;/h1-24H,(H6,49,50,51,52,53,54,55,56,57,58,59,60);1H;/q;+3/p-3
InChI Key	XHVDAQLNUQLQKW-UHFFFAOYSA-K
Purity	98%
Appearance	Brown solid
Complexity	1520
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Exact Mass	878.09761
Heavy Atom Count	62
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	4
Monoisotopic Mass	878.09761
Rotatable Bond Count	6
Topological Polar Surface Area	197 Ų