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 Formula	C₂₀H₃₄BCl
Molecular Weight	320.7 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	320.2442089 g/mol
Monoisotopic Mass	320.2442089 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	428
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

(+)-B-Chlorodiisopinocampheyl-Borane