CAS 330156-50-8

1 2D Structure

CAS 330156-50-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R)-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-/m1/s1

2.1.3 InChI Key

JAOYKRSASYNDGH-SCSAIBSYSA-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. 330156-50-8

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

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

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

5. Mfcd09863794

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

7. (1r)-1-(2,6-dichloro-3-fluoro-phenyl)ethanol

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

9. 1r)-1-(2,6-dichloro-3-fluorophenyl)ethan-1-ol

10. Schembl2419732

11. Dtxsid10463001

12. Bcp04719

13. Zinc12506508

14. Akos010366212

15. Akos015840295

16. Ss-4350

17. Ac-25039

18. A5898

19. Am20060442

20. Cs-0120032

21. D4577

22. En300-52717

23. 156d508

24. J-502117

25. (r)-2,6-dichloro-3-fluoro-alpha-methylbenzyl Alcohol

26. Z234896719

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₇Cl₂FO
Molecular Weight	209.04 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	207.9857984 g/mol
Monoisotopic Mass	207.9857984 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	156
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS 330156-50-8

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