Ferroin indicator solution

CAT: 0024-sc-215033Size: 100 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-215033Size:100 mL

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CAS Number

14634-91-4

Chemical Information

1,10-Phenanthroline ferrous sulfate

CAS Number	14634-91-4
PubChem CID	84567
IUPAC Name	iron(2+);tris(1,10-phenanthroline);sulfate
Molecular Formula	C36H24FeN6O4S
Molecular Weight	692.5
Topological Polar Surface Area	166
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	0
Heavy Atom Count	48
Formal Charge	0
Complexity	245

SMILES

C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[O-]S(=O)(=O)[O-].[Fe+2]

InChI

InChI=1S/3C12H8N2.Fe.H2O4S/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;1-5(2,3)4/h3*1-8H;;(H2,1,2,3,4)/q;;;+2;/p-2

InChIKey

CIWXFRVOSDNDJZ-UHFFFAOYSA-L

Chemical Structure

2D Structure

CAS: 14634-91-4

CID: 84567

Formula: C36H24FeN6O4S

MW: 692.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	692.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	0
Exact Mass	692.092910
Monoisotopic Mass	692.092910
Topological Polar Surface Area	166 Å²
Heavy Atom Count	48
Formal Charge	0
Complexity	245
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	5
Compound Is Canonicalized	Yes

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