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B-Benzyl-9-BBN solution

CAT: 0024-sc-233903Size: 100 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-233903Size:100 mL
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CAS Number
53317-09-2

Chemical Information

9-Benzyl-9-borabicyclo(3.3.1)nonane
CAS Number53317-09-2
PubChem CID4150924
IUPAC Name9-benzyl-9-borabicyclo[3.3.1]nonane
Molecular FormulaC15H21B
Molecular Weight212.14
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity197
SMILES
B1(C2CCCC1CCC2)CC3=CC=CC=C3
InChI
InChI=1S/C15H21B/c1-2-6-13(7-3-1)12-16-14-8-4-9-15(16)11-5-10-14/h1-3,6-7,14-15H,4-5,8-12H2
InChIKey
IQRBNRFCRAJXJF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Benzyl-9-borabicyclo(3.3.1)nonane
CAS: 53317-09-2
CID: 4150924
Formula: C15H21B
MW: 212.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight212.14
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass212.1736308
Monoisotopic Mass212.1736308
Topological Polar Surface Area0 Ų
Heavy Atom Count16
Formal Charge0
Complexity197
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