4CH-016898

Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

Virtual Booth

Contact Supplier

Kikkoman Biochemifa Company advances global health and safety through precision-driven innovation in biotech and food testing.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

4 Suppliers, 3 End Use APIs, 5 Related Intermediates

4 Suppliers
3 End Use APIs
5 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

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

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 Formula	C₁₀H₁₁BrO
Molecular Weight	227.10 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	225.99933 g/mol
Monoisotopic Mass	225.99933 g/mol
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	149
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1