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2D Structure
Also known as: 877397-65-4, (1s)-1-(2,6-dichloro-3-fluorophenyl)ethanol, (1s)-1-(2,6-dichloro-3-fluorophenyl)ethan-1-ol, (s)-1-(2,6-dichloro-3-fluorophenyl)-ethanol, (s)-1-(2,6-dichloro-3-fluoro-phenyl)-ethanol, Mfcd09863793
Molecular Formula
C8H7Cl2FO
Molecular Weight
209.04  g/mol
InChI Key
JAOYKRSASYNDGH-BYPYZUCNSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1S)-1-(2,6-dichloro-3-fluorophenyl)ethanol
2.1.2 InChI
InChI=1S/C8H7Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-4,12H,1H3/t4-/m0/s1
2.1.3 InChI Key
JAOYKRSASYNDGH-BYPYZUCNSA-N
2.1.4 Canonical SMILES
CC(C1=C(C=CC(=C1Cl)F)Cl)O
2.1.5 Isomeric SMILES
C[C@@H](C1=C(C=CC(=C1Cl)F)Cl)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 877397-65-4

2. (1s)-1-(2,6-dichloro-3-fluorophenyl)ethanol

3. (1s)-1-(2,6-dichloro-3-fluorophenyl)ethan-1-ol

4. (s)-1-(2,6-dichloro-3-fluorophenyl)-ethanol

5. (s)-1-(2,6-dichloro-3-fluoro-phenyl)-ethanol

6. Mfcd09863793

7. Ec 700-699-9

8. Schembl1581742

9. Dtxsid90468534

10. Cs-m0263

11. Zinc12506507

12. Akos015840146

13. Ss-4349

14. Ac-25854

15. Db-077093

16. (s)-1-(26-dichloro-3-fluorophenyl)ethanol

17. Am20060441

18. En300-52716

19. 397d654

20. Au-004/43509922

21. (s)-1-[2',6'-dichloro-3'-fluorophenyl]-ethanol

22. J-502338

23. Z234896717

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 209.04 g/mol
Molecular Formula C8H7Cl2FO
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass207.9857984 g/mol
Monoisotopic Mass207.9857984 g/mol
Topological Polar Surface Area20.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity156
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1