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131612-27-6 | Iron, tris(4-amino-N-hydroxybenzamidato-O,O')- (9CI)
CAS No: 131612-27-6 Catalog No: AG000ZI4 MDL No:
Product Description
Catalog Number:
AG000ZI4
Chemical Name:
Iron, tris(4-amino-N-hydroxybenzamidato-O,O')- (9CI)
CAS Number:
131612-27-6
Molecular Formula:
C21H21FeN6O6
Molecular Weight:
509.2730
IUPAC Name:
4-amino-N-oxidobenzamide;iron(3+)
InChI:
InChI=1S/3C7H7N2O2.Fe/c3*8-6-3-1-5(2-4-6)7(10)9-11;/h3*1-4H,(H3-,8,9,10,11);/q3*-1;+3
InChI Key:
FEYJWNLLZVCLCI-UHFFFAOYSA-N
SMILES:
[O-]NC(=O)c1ccc(cc1)N.[O-]NC(=O)c1ccc(cc1)N.[O-]NC(=O)c1ccc(cc1)N.[Fe+3]
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
509.087g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
509.28g/mol
Monoisotopic Mass:
509.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
235A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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