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ferron

ferron

CAS: 547-91-1

Formula: C9H6INO4S

SMILES: OC1=C2N=CC=CC2=C(C=C1I)S(O)(=O)=O

IUPAC: 8-hydroxy-7-iodoquinoline-5-sulfonic acid

InChI: InChI=1S/C9H6INO4S/c10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12/h1-4,12H,(H,13,14,15)

Composition: C (30.79%), H (1.72%), I (36.14%), N (3.99%), O (18.23%), S (9.13%)

Molar Mass: 351.11

Atom Count: 22

Heavy Atom Count: 16

Properties
Properties
Common Names ferron; yellon
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 350.90622
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey ZBJWWKFMHOAPNS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.95
Topological Polar Surface Area 87.49
Polarizability 27.45
Ring Count 2
Rotatable Bond Count 1

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