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Trioctadecyl Borate

CAT: 0024-sc-485707Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-485707Size:25 g
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CAS Number
5337-41-7

Chemical Information

Tristearyl borate
CAS Number5337-41-7
PubChem CID21425
IUPAC Nametrioctadecyl borate
Molecular FormulaC54H111BO3
Molecular Weight819.3
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count54
Heavy Atom Count58
Formal Charge0
Complexity599
SMILES
B(OCCCCCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C54H111BO3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-56-55(57-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)58-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3
InChIKey
GZKLCETYSGSMRA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tristearyl borate
CAS: 5337-41-7
CID: 21425
Formula: C54H111BO3
MW: 819.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight819.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count54
Exact Mass818.8626276
Monoisotopic Mass818.8626276
Topological Polar Surface Area27.7 Ų
Heavy Atom Count58
Formal Charge0
Complexity599
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
OR1077967Trioctadecyl Borate
FT184419-01Trioctadecyl 2-hydroxypropane-1,2,3-tricarboxylate
FT33651-01Triethyl borate
291427-01Triisopropyl borate
3125790Zinc borate
3121690Copper borate
3120810Barium borate
RE2305Sodium Borate
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