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Tetrabutylphosphonium bromide

CAT: 0063-75425740-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0063-75425740-01Size:25 g
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CAS Number
3115-68-2

Chemical Information

Tetrabutylphosphonium bromide

RN given refers to Br

CAS Number3115-68-2
PubChem CID76564
IUPAC Nametetrabutylphosphanium bromide
Molecular FormulaC16H36BrP
Molecular Weight339.33
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count12
Heavy Atom Count18
Formal Charge0
Complexity116
SMILES
CCCC[P+](CCCC)(CCCC)CCCC.[Br-]
InChI
InChI=1S/C16H36P.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
InChIKey
RKHXQBLJXBGEKF-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Tetrabutylphosphonium bromide
CAS: 3115-68-2
CID: 76564
Formula: C16H36BrP
MW: 339.33
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight339.33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count12
Exact Mass338.17380
Monoisotopic Mass338.17380
Topological Polar Surface Area0 Ų
Heavy Atom Count18
Formal Charge0
Complexity116
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes