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2D Structure
Also known as: 4117-09-3, 7-bromohept-1-ene, 1-heptene, 7-bromo-, 1-heptene, 7-bromo, Bromo-7 heptene-1, 7-bromo-heptene
Molecular Formula
C7H13Br
Molecular Weight
177.08  g/mol
InChI Key
GNYDYUQVALBGGZ-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
7-bromohept-1-ene
2.1.2 InChI
InChI=1S/C7H13Br/c1-2-3-4-5-6-7-8/h2H,1,3-7H2
2.1.3 InChI Key
GNYDYUQVALBGGZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C=CCCCCCBr
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 4117-09-3

2. 7-bromohept-1-ene

3. 1-heptene, 7-bromo-

4. 1-heptene, 7-bromo

5. Bromo-7 Heptene-1

6. 7-bromo-heptene

7. 7-bromo-l-heptene

8. 1-bromo-6-heptene

9. Schembl313582

10. 7-bromo-1-heptene, >=97%

11. Dtxsid50335314

12. Act03108

13. Zinc2381580

14. Mfcd01631137

15. Akos013153300

16. Cs-w009270

17. Gs-3729

18. 7-bromohept-1-ene; Bromo(7-)-1-heptene

19. Db-000263

20. Db-009213

21. Ft-0657065

22. Ft-0686419

23. A24620

24. 117b093

25. J-519101

26. 5-methyl-2-phenyl-3h-imidazole-4-carboxylicacidethylester

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 177.08 g/mol
Molecular Formula C7H13Br
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count5
Exact Mass176.02006 g/mol
Monoisotopic Mass176.02006 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity50.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1