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132-16-1

132-16-1 | Iron phthalocyanine

CAS No: 132-16-1 Catalog No: AG003R1H MDL No:MFCD00015953

Product Description

Catalog Number:
AG003R1H
Chemical Name:
Iron phthalocyanine
CAS Number:
132-16-1
Molecular Formula:
C32H16FeN8
Molecular Weight:
568.3680
MDL Number:
MFCD00015953
IUPAC Name:
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;iron(2+)
InChI:
InChI=1S/C32H16N8.Fe/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
InChI Key:
MIINHRNQLVVCEW-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)C1=NC3=NC(=Nc4[n-]c(N=C5N=C([N-]C2=N1)c1ccccc51)c1c4cccc1)c1c3cccc1.[Fe+2]
EC Number:
205-047-2

Properties

Complexity:
1080  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
568.085g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
568.381g/mol
Monoisotopic Mass:
568.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Literature

Title Journal
Detection of pesticides using an amperometric biosensor based on ferophthalocyanine chemically modified carbon paste electrode and immobilized bienzymatic system. Biosensors & bioelectronics 20030301

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