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Also known as: 127264-14-6, 5-(2-bromoethyl)-2,3-dihydro-1-benzofuran, 5-(2-bromo-ethyl)-2,3-dihydro-benzofuran, 5-(2-bromoethyl)-2,3-dihydrobenzo[b]furan, Benzofuran, 5-(2-bromoethyl)-2,3-dihydro-, 2,3-dihydro-5-(2-bromoethyl)benzofuran
Molecular Formula
C10H11BrO
Molecular Weight
227.10  g/mol
InChI Key
JRKZQRRYNCMSCB-UHFFFAOYSA-N

CAS 127264-14-6
1 2D Structure

CAS 127264-14-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-(2-bromoethyl)-2,3-dihydro-1-benzofuran
2.1.2 InChI
InChI=1S/C10H11BrO/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,7H,3-6H2
2.1.3 InChI Key
JRKZQRRYNCMSCB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1COC2=C1C=C(C=C2)CCBr
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 127264-14-6

2. 5-(2-bromoethyl)-2,3-dihydro-1-benzofuran

3. 5-(2-bromo-ethyl)-2,3-dihydro-benzofuran

4. 5-(2-bromoethyl)-2,3-dihydrobenzo[b]furan

5. Benzofuran, 5-(2-bromoethyl)-2,3-dihydro-

6. 2,3-dihydro-5-(2-bromoethyl)benzofuran

7. 5-(2-bromoethyl)coumaran

8. Schembl1317917

9. Dtxsid10618599

10. 5-(2-bromoethyl) Dihydrobenzofuran

11. Amy40371

12. Bcp10550

13. Cs-m0163

14. Bbl030678

15. Mfcd06797641

16. Stl373178

17. Zinc12953895

18. Akos005146233

19. Ac-1164

20. 5-(2-bromoethyl)-2,3dihydrobenzofuran

21. 5-(2-bromethyl)-2,3-dihydrobenzofuran

22. As-15732

23. Db-008998

24. B4066

25. Ft-0647971

26. En300-91515

27. 5-(2-aminoethylthiomethyl)furfuryldimethylamine

28. 264b146

29. A805674

30. 5-(2-bromoethyl)-2,3-dihydrobenzo-[2,3-b]furan

31. 5-(2-bromoethyl)-2,3-dihydrobenzo[2,3-b ]furan

32. Q-200518

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 227.10 g/mol
Molecular Formula C10H11BrO
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass225.99933 g/mol
Monoisotopic Mass225.99933 g/mol
Topological Polar Surface Area9.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity149
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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