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Chemistry

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Also known as: 10293-06-8, (1r,3s,4s)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one, 3-bromo-d-camphor, 3-bromocamphor, (+)-, Camphor, 3-bromo-, d-, Camphor, monobromated

Molecular Formula

C₁₀H₁₅BrO

Molecular Weight

231.13 g/mol

InChI Key

NJQADTYRAYFBJN-FWWHASMVSA-N

FDA UNII

E6SHQ2AT1P

1 2D Structure

3-Bromocamphor, (+)-

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,3S,4S)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

2.1.2 InChI

InChI=1S/C10H15BrO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5H2,1-3H3/t6-,7+,10+/m1/s1

2.1.3 InChI Key

NJQADTYRAYFBJN-FWWHASMVSA-N

2.1.4 Canonical SMILES

CC1(C2CCC1(C(=O)C2Br)C)C

2.1.5 Isomeric SMILES

C[C@@]12CC[C@@H](C1(C)C)[C@@H](C2=O)Br

2.2 Other Identifiers

2.2.1 UNII

E6SHQ2AT1P

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 10293-06-8

2. (1r,3s,4s)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

3. 3-bromo-d-camphor

4. 3-bromocamphor, (+)-

5. Camphor, 3-bromo-, D-

6. Camphor, Monobromated

7. Camphor, 3-bromo-

8. (1r-endo)-(+)-3-bromocamphor

9. E6shq2at1p

10. Nay429ursn

11. Camphor Bromide

12. Endo-3-bromo-d-camphor

13. (1r,3s,4s)-(+)-3-bromo-2-bornanone

14. 2-bornanone, 3-bromo-, (1r,3s,4s)-(+)-

15. 2-bornanone, 3-bromo-

16. Nsc-26355

17. (1r-endo)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

18. Unii-e6shq2at1p

19. Bicyclo(2.2.1)heptan-2-one, 3-bromo-1,7,7-trimethyl-

20. (1r-endo)-3-bromo-1,7,7-trimethylbicyclo(2.2.1)heptan-2-one

21. Alpha-bromocamphor

22. Camphor, 3-alpha-bromo-, (+)-

23. Einecs 233-652-1

24. D-alpha-bromocamphor

25. 3-bromobornan-2-one

26. Brn 3603833

27. Starbld0016852

28. Unii-nay429ursn

29. (+)-3-endo-bromocamphor

30. Camphor, Monobromated [usp]

31. Chembl2106181

32. Dtxsid2022252

33. Schembl15823800

34. 3-bromo-d-camphor [mi]

35. Zinc507383

36. Camphora Monobromata [hpus]

37. [1(r)-endo]-(+)-3-bromocamphor

38. Camphor,monobromated [vandf]

39. Camphora Monobromata, (+)-

40. Einecs 200-950-8

41. 3-bromocamphor, (+/-)-

42. Bicyclo(2.2.1)heptan-2-one, 3-bromo-1,7,7-trimethyl-, (1r-endo)-

43. Camphor Monobromide [who-dd]

44. Mfcd00003744

45. Nsc 26355

46. Akos016003748

47. Cs-0187995

48. E78855

49. (1r,3s,4s)-3-bromo-1,7,7-trimethyl-norbornan-2-one

50. (1r,3s)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

51. (+)-3-bromocamphor, Purum, >=97.0% (sum Of Enantiomers, Gc)

52. (1r,3s,4s)-3-bromo-1,7,7-trimethylbicyclo-[2.2.1]heptan-2-one

53. (1r,3s,4s)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-o

54. Bicyclo(2.2.1)heptan-2-one, 3-bromo-1,7,7-trimethyl-, (1r,3s,4s)-

55. Bicyclo[2.2.1]heptan-2-one, 3-bromo-1,7,7-trimethyl-, (1r,3s,4s)-rel-

56. 1925-58-2

2.4 Create Date

2005-07-09

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₅BrO
Molecular Weight	231.13 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	230.03063 g/mol
Monoisotopic Mass	230.03063 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	246
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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