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114610-93-4 | Iron(2+), tris[2-(4-methyl-4H-1,2,4-triazol-3-yl)pyridine]- (9CI)
CAS No: 114610-93-4 Catalog No: AG000ETW MDL No:
Product Description
Catalog Number:
AG000ETW
Chemical Name:
Iron(2+), tris[2-(4-methyl-4H-1,2,4-triazol-3-yl)pyridine]- (9CI)
CAS Number:
114610-93-4
Molecular Formula:
C24H24FeN12++
Molecular Weight:
536.3728
IUPAC Name:
iron(2+);2-(4-methyl-1,2,4-triazol-3-yl)pyridine
InChI:
InChI=1S/3C8H8N4.Fe/c3*1-12-6-10-11-8(12)7-4-2-3-5-9-7;/h3*2-6H,1H3;/q;;;+2
InChI Key:
GWUHXZYTGYUXEB-UHFFFAOYSA-N
SMILES:
Cn1cnnc1c1ccccn1.Cn1cnnc1c1ccccn1.Cn1cnnc1c1ccccn1.[Fe+2]
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
536.16g/mol
Formal Charge:
2
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
536.385g/mol
Monoisotopic Mass:
536.16g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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