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116005-09-5 | Borane, iodobis[(1R,2S,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]-
CAS No: 116005-09-5 Catalog No: AG000BD2 MDL No:
Product Description
Catalog Number:
AG000BD2
Chemical Name:
Borane, iodobis[(1R,2S,3R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]-
CAS Number:
116005-09-5
Molecular Formula:
C20H34BI
Molecular Weight:
412.1994
IUPAC Name:
iodo-bis(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)borane
InChI:
InChI=1S/C20H34BI/c1-11-15-7-13(19(15,3)4)9-17(11)21(22)18-10-14-8-16(12(18)2)20(14,5)6/h11-18H,7-10H2,1-6H3
InChI Key:
CAENRUYDQFUIKA-UHFFFAOYSA-N
SMILES:
IB([C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C)[C@@H]1C[C@@H]2C[C@H]([C@H]1C)C2(C)C
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.18g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.206g/mol
Monoisotopic Mass:
412.18g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
8
Undefined Bond Stereocenter Count:
0
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