CAS 112246-73-8

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Also known as: 112246-73-8, (+)-dip chloride, (+)-b-chlorodiisopinocampheylborane, (+)-beta-chlorodiisopinocamphenylborane, (+)-dip-chloride, Mfcd00074808

Molecular Formula

C₂₀H₃₄BCl

Molecular Weight

320.7 g/mol

InChI Key

PSEHHVRCDVOTID-YYNWCRCSSA-N

1 2D Structure

CAS 112246-73-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

chloro-bis[(1R,2R,3S,5R)-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-YYNWCRCSSA-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. (+)-dip Chloride

3. (+)-b-chlorodiisopinocampheylborane

4. (+)-beta-chlorodiisopinocamphenylborane

5. (+)-dip-chloride

6. Mfcd00074808

7. (+)-b-chlorodiisopinocamphenylborane

8. (+)dip-chloride

9. (+) Dip-chloride

10. (+)-diisopinocampheyl Chloroborane, 60%-65% In Hexanes

11. Chlorobis(2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl)borane

12. (+)-b-chlorodiisopinocampheylborane (58% In Hexane, Ca. 1.6mol/l)

13. (+)-dpc

14. Dtxsid70920706

15. (+)-a-chlorodiisopinocamphenylborane

16. Akos037644151

17. Zinc196916033

18. As-47257

19. Bp-10075

20. 246d738

21. A802521

22. (+)-diisopinocamphelchloroborane 60-65% In Hexanes

23. Q-101079

24. Chloranyl-bis[(1r,3s,4r,5r)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane

25. Chloro-bis[(1r,3s,4r,5r)-4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane

2.3 Create Date

2007-02-08

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

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