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B-Iodo-9-BBN

CAT: 0024-sc-239266Size: 25 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-239266Size:25 mL
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CAS Number
70145-42-5

Chemical Information

9-Iodo-9-borabicyclo(3.3.1)nonane
CAS Number70145-42-5
PubChem CID578231
IUPAC Name9-iodo-9-borabicyclo[3.3.1]nonane
Molecular FormulaC8H14BI
Molecular Weight247.91
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity104
SMILES
B1(C2CCCC1CCC2)I
InChI
InChI=1S/C8H14BI/c10-9-7-3-1-4-8(9)6-2-5-7/h7-8H,1-6H2
InChIKey
YAYIUFDUYUYPJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Iodo-9-borabicyclo(3.3.1)nonane
CAS: 70145-42-5
CID: 578231
Formula: C8H14BI
MW: 247.91
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight247.91
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass248.02333
Monoisotopic Mass248.02333
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity104
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