SODIUM HYDROXYTRIPHENYLBORATE(1-)

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Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII 397481546B

Structure

InChI Key SUZMSMLUONFLDA-UHFFFAOYSA-N
Smiles [Na+].O[B-](c1ccccc1)(c2ccccc2)c3ccccc3
InChI
InChI=1/C18H16BO.Na/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15,20H;/q-1;+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H16BO.Na
Molecular Weight 282.12
AlogP -1.35
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 20.23
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 12113-07-4
NORMAN SUSDAT
FDA SRS 397481546B
CONTENTS