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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

CAS 877397-65-4
1 2D Structure

CAS 877397-65-4

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

BUILDING BLOCK

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