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2D Structure
Also known as: 13633-25-5, (4-bromobutyl)benzene, 4-phenylbutyl bromide, 4-bromobutylbenzene, 4-phenyl 1-butyl bromide, Benzene, (4-bromobutyl)-
Molecular Formula
C10H13Br
Molecular Weight
213.11  g/mol
InChI Key
XPBQQAHIVODAIC-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-bromobutylbenzene
2.1.2 InChI
InChI=1S/C10H13Br/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
2.1.3 InChI Key
XPBQQAHIVODAIC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)CCCCBr
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 13633-25-5

2. (4-bromobutyl)benzene

3. 4-phenylbutyl Bromide

4. 4-bromobutylbenzene

5. 4-phenyl 1-butyl Bromide

6. Benzene, (4-bromobutyl)-

7. 4-phenyl-1-bromobutane

8. Benzene, (bromobutyl)-

9. 1-bromo-4-phenyl-butane

10. Mfcd00154988

11. 4-phenyl-1-butyl Bromide

12. 4-phenylbutylbromide

13. Nsc89816

14. 4-bromo-butylbenzene

15. 4-phenyl-butylbromide

16. (4-bromobutyl) Benzene

17. 1-phenyl-4-bromobutane

18. (4-bromo-butyl)-benzene

19. 4-phenyl-1-bromo Butane

20. 4-bromo-1-phenyl Butane

21. Nciopen2_006323

22. Schembl80789

23. Dtxsid10293481

24. Act04260

25. Amy28672

26. Bcp10383

27. Zinc1575647

28. Nsc-89816

29. Akos005259918

30. Ab87751

31. Cs-w014977

32. Ac-16206

33. As-12984

34. Sy036816

35. Db-042339

36. 1-bromo-4-phenylbutane, >=95.0% (gc)

37. Ft-0607515

38. P1388

39. A25194

40. 633b255

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 213.11 g/mol
Molecular Formula C10H13Br
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Exact Mass212.02006 g/mol
Monoisotopic Mass212.02006 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count11
Formal Charge0
Complexity84.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1