iron(3+);4-methylbenzenesulfonate;hexahydrate


Chemical Name: iron(3+);4-methylbenzenesulfonate;hexahydrate
CAS Number: 312619-41-3
Product Number: AG007I26(AGN-PC-09TD9C)
Synonyms:
MDL No:
Molecular Formula: C21H33FeO15S3
Molecular Weight: 677.5177

Identification/Properties


Computed Properties
Molecular Weight:
677.505g/mol
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
15
Rotatable Bond Count:
0
Exact Mass:
677.033g/mol
Monoisotopic Mass:
677.033g/mol
Topological Polar Surface Area:
203A^2
Heavy Atom Count:
40
Formal Charge:
0
Complexity:
193
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
10
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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