Aluminum phthalocyanine

Catalog Number	ACM47822797-1
CAS	47822-79-7
Synonyms	Aluminium phthalocyanine
Molecular Weight	539.5
Molecular Formula	C32H16AlN8
Canonical SMILES	C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C([N-]4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2[N-]3.[Al+3]
InChI	InChI=1S/C32H16N8.Al/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+3
InChI Key	HUVXQFBFIFIDDU-UHFFFAOYSA-N
Complexity	709
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	539.131331
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Monoisotopic Mass	539.131331
Rotatable Bond Count	0
Topological Polar Surface Area	79.3 Ų