50662-67-4
1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-十六氯-29H,31H-铁酞菁
Name
1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-十六氯-29H,31H-铁酞菁
pro_formula
C32 Cl16 Fe N8
pro_molWeight
1119.5
1Identification
【Name】
1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-十六氯-29H,31H-铁酞菁
【CAS】
【MDL】
MFCD00274648
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C32 Cl16 Fe N8
【pro_molWeight】
1119.5
【Inchi】
InChI=1S/C32Cl16N8.Fe/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
【InChIKey】
InChIKey=IVDXYCTXTIJKTO-UHFFFAOYSA-N
【SMILES】
c1\2c(c(c(c(c1Cl)Cl)Cl)Cl)/c/3n/c-4n/c(n\c5c6c(c(c(c(c6Cl)Cl)Cl)Cl)c/7n5[Fe]n3/c2n\c-8n/c(n7)/c9c8c(c(c(c9Cl)Cl)Cl)Cl)/c1c4c(c(c(c1Cl)Cl)Cl)Cl
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:8
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-十六氯-29H,31H-铁酞菁.cml
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