Nickel hexadecachlorophthalocyanine

Catalog Number	ACM31270083
CAS	31270-08-3
Molecular Weight	1122.34
Molecular Formula	C32Cl16N8Ni
Canonical SMILES	C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C3=NC4=NC(=NC5=C6C(=C([N-]5)N=C7C8=C(C(=C(C(=C8Cl)Cl)Cl)Cl)C(=N7)N=C2[N-]3)C(=C(C(=C6Cl)Cl)Cl)Cl)C9=C4C(=C(C(=C9Cl)Cl)Cl)Cl.[Ni+2]
InChI	InChI=1S/C32Cl16N8.Ni/c33-9-1-2(10(34)18(42)17(9)41)26-49-25(1)53-27-3-4(12(36)20(44)19(43)11(3)35)29(50-27)55-31-7-8(16(40)24(48)23(47)15(7)39)32(52-31)56-30-6-5(28(51-30)54-26)13(37)21(45)22(46)14(6)38;/q-2;+2
InChI Key	WMUXJAFVQMTGDP-UHFFFAOYSA-N
Purity	98%
Complexity	1460
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	1121.449776
Heavy Atom Count	57
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Monoisotopic Mass	1113.461577
Rotatable Bond Count	0
Topological Polar Surface Area	76.2 Ų