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2D Structure
Also known as: 40258-78-4, 1-acetoxyethyl bromide, 1-(acetoxy)ethyl bromide, Mfcd08061392, 1-bromoethylacetate, (rs)-1-acetoxyethyl bromide
Molecular Formula
C4H7BrO2
Molecular Weight
167.00  g/mol
InChI Key
IIASCQBFNHWZBE-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-bromoethyl acetate
2.1.2 InChI
InChI=1S/C4H7BrO2/c1-3(5)7-4(2)6/h3H,1-2H3
2.1.3 InChI Key
IIASCQBFNHWZBE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(OC(=O)C)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 40258-78-4

2. 1-acetoxyethyl Bromide

3. 1-(acetoxy)ethyl Bromide

4. Mfcd08061392

5. 1-bromoethylacetate

6. (rs)-1-acetoxyethyl Bromide

7. Acetic Acid 1-bromo-ethyl Ester

8. 1-acetoxy-1-ethyl Bromide

9. (rs)-1-acetoxyethylbromide

10. (rs) 1-acetoxyethyl Bromide

11. Schembl230054

12. Acetic Acid 1-bromoethyl Ester

13. Dtxsid10456514

14. Bcp30449

15. Akos006285717

16. Fs-4056

17. Sy067153

18. Cs-0135277

19. Ft-0663735

20. 258b784

21. 1-acetoxyethyl Bromide Pound>>acetic Acid 1-bromo-ethyl Ester

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 167.00 g/mol
Molecular Formula C4H7BrO2
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass165.96294 g/mol
Monoisotopic Mass165.96294 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity72.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1