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Copper Phthalocyanine , Dye Content

CAT: 1442-1031920 25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1442-1031920 25Size:25 mg
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CAS Number
147-14-8
Molecular Formula
C32H16CuN8
Molecular Weight
576.07
HSN Code
32129090

Chemical Information

Copper phthalocyanine

structure

CAS Number147-14-8
PubChem CID6531516
IUPAC Namecopper 2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
Molecular FormulaC32H16CuN8
Molecular Weight576.1
Topological Polar Surface Area79.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Heavy Atom Count41
Formal Charge0
Complexity709
SMILES
C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.[Cu+2]
InChI
InChI=1S/C32H16N8.Cu/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;+2
InChIKey
XCJYREBRNVKWGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Copper phthalocyanine
CAS: 147-14-8
CID: 6531516
Formula: C32H16CuN8
MW: 576.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight576.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Exact Mass575.079390
Monoisotopic Mass575.079390
Topological Polar Surface Area79.3 Ų
Heavy Atom Count41
Formal Charge0
Complexity709
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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