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2D Structure
Also known as: 112246-73-8, (+)-ipc2bcl, (+)-diisopinocampheyl chloroborane, Borane, chlorobis[(1s,2r,3s,5s)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]-, (+)-dip-chloride, (+)-b-chlorodiisopinocamphenylborane
Molecular Formula
C20H34BCl
Molecular Weight
320.7  g/mol
InChI Key
PSEHHVRCDVOTID-NAVXHOJHSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
chloro-bis[(1S,2R,3S,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane
2.1.2 InChI
InChI=1S/C20H34BCl/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/t11-,12-,13+,14+,15-,16-,17-,18-/m0/s1
2.1.3 InChI Key
PSEHHVRCDVOTID-NAVXHOJHSA-N
2.1.4 Canonical SMILES
B(C1CC2CC(C1C)C2(C)C)(C3CC4CC(C3C)C4(C)C)Cl
2.1.5 Isomeric SMILES
B([C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)([C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 112246-73-8

2. (+)-ipc2bcl

3. (+)-diisopinocampheyl Chloroborane

4. Borane, Chlorobis[(1s,2r,3s,5s)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]-

5. (+)-dip-chloride

6. (+)-b-chlorodiisopinocamphenylborane

7. (-)-b-chlorodiisopinocampheylborane

8. (+)-diisopinocampheylchloroborane

9. Schembl4864880

10. ( )-chlorodiisopinocampheylborane

11. (+)-b-chlorodiisopinocampheyl-borane

12. Akos016015001

13. Zinc169743363

14. Ac-22730

15. Cs-0008304

16. (+)-dip-chloride(tm), 90-105% (approx.)

17. Chlorobis[(1s,2r,3s,5s)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]borane

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 320.7 g/mol
Molecular Formula C20H34BCl
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass320.2442089 g/mol
Monoisotopic Mass320.2442089 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count22
Formal Charge0
Complexity428
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1