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Home Other Building Blocks Exjade Fe3+ chelate

Exjade Fe3+ chelate

CAS No.:
554435-83-5
Catalog Number:
AG00DB5M
Molecular Formula:
C21H12FeN3O4
Molecular Weight:
426.1827
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$423
- +
10mg
98%
1 week
United States
$590
- +
50mg
98%
1 week
United States
$1473
- +
100mg
98%
1 week
United States
$2423
- +
Product Description
Catalog Number:
AG00DB5M
Chemical Name:
Exjade Fe3+ chelate
CAS Number:
554435-83-5
Molecular Formula:
C21H12FeN3O4
Molecular Weight:
426.1827
MDL Number:
MFCD23160053
IUPAC Name:
4-[3,5-bis(2-oxidophenyl)-1,2,4-triazol-1-yl]benzoate;iron(3+)
InChI:
InChI=1S/C21H15N3O4.Fe/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28;/h1-12,25-26H,(H,27,28);/q;+3/p-3
InChI Key:
ABQALTGEPFNCIY-UHFFFAOYSA-K
SMILES:
[O-]C(=O)c1ccc(cc1)n1nc(nc1c1ccccc1[O-])c1ccccc1[O-].[Fe+3]
Properties
Complexity:
541  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.018g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.189g/mol
Monoisotopic Mass:
426.018g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties