5,10,15,20-Tetrakis(4-chlorophenyl)porphyrin nickel

Catalog Number	ACM57774148
CAS	57774-14-8
Synonyms	Meso-tetrakis(4-chlorophenyl)porphyrin-Ni(II)
Molecular Weight	809.2
Molecular Formula	C44H24Cl4N4Ni
Canonical SMILES	C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)Cl)C8=CC=C(C=C8)Cl)C=C4)C9=CC=C(C=C9)Cl)[N-]3)Cl.[Ni+2]
InChI	InChI=1S/C44H24Cl4N4.Ni/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;/h1-24H;/q-2;+2
InChI Key	IKQQPOVAVATOON-UHFFFAOYSA-N
Purity	98%
Complexity	929
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	808.007899
Heavy Atom Count	53
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Monoisotopic Mass	806.010849
Rotatable Bond Count	4
Topological Polar Surface Area	27.8 Ų