POTASSIUM 6-BROMO-2-NAPHTHYL SULPHATE

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Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key MYMXPVXZMNQAMO-UHFFFAOYSA-M
Smiles [K+].O=S(=O)([O-])OC1=CC=C2C=C(Br)C=CC2=C1
InChI
InChI=1/C10H7BrO4S.K/c11-9-3-1-8-6-10(15-16(12,13)14)4-2-7(8)5-9;/h1-6H,(H,12,13,14);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H7BrO4S
Molecular Weight 339.88
AlogP -0.55
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 66.43
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 71799-94-5
NORMAN SUSDAT
PubChem 195976
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