Aluminum phthalocyanine

• Catalog Number: ACM47822797-1
• Product Name: Aluminum phthalocyanine
• CAS: 47822-79-7
• Category: Heterocyclic Organic Compound
• 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