CAS 13692-14-3

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Also known as: 13692-14-3, Alpha-(chloromethyl)-2,4-dichlorobenzyl alcohol, 2-chloro-1-(2,4-dichlorophenyl)ethan-1-ol, 2,4-dichloro-alpha-(chloromethyl)benzyl alcohol, 2,4-dichloro-alpha-chloromethylbenzenemethanol, Benzyl alcohol, 2,4-dichloro-.alpha.-(chloromethyl)-

Molecular Formula

C₈H₇Cl₃O

Molecular Weight

225.5 g/mol

InChI Key

XHEPANNURIQWRM-UHFFFAOYSA-N

1 2D Structure

CAS 13692-14-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloro-1-(2,4-dichlorophenyl)ethanol

2.1.2 InChI

InChI=1S/C8H7Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3,8,12H,4H2

2.1.3 InChI Key

XHEPANNURIQWRM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1Cl)Cl)C(CCl)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 13692-14-3

2. Alpha-(chloromethyl)-2,4-dichlorobenzyl Alcohol

3. 2-chloro-1-(2,4-dichlorophenyl)ethan-1-ol

4. 2,4-dichloro-alpha-(chloromethyl)benzyl Alcohol

5. 2,4-dichloro-alpha-chloromethylbenzenemethanol

6. Benzyl Alcohol, 2,4-dichloro-.alpha.-(chloromethyl)-

7. Benzenemethanol, 2,4-dichloro-.alpha.-(chloromethyl)-

8. (r)-2-chloro-1-(2,4-dichlorophenyl)ethan-1-ol

9. Mfcd07776655

10. Einecs 237-206-7

11. 1-(2',4'-dichlorophenyl)-2-chloro-ethanol

12. Schembl3124491

13. Dtxsid00929580

14. Bcp09385

15. Akos005207208

16. As-63697

17. Da-18273

18. Sy195790

19. Cs-0268821

20. Ft-0696616

21. Ft-0740107

22. E78320

23. .alpha.-(chloromethyl)-2,4-dichlorobenzyl Alcohol

24. 2,4-dichloro-.alpha.-(chloromethyl)benzyl Alcohol

25. 2,4-dichloro-alpha-(chloromethyl)-benzyl Alcohol

26. A886600

27. (-)-2-chloro-1-(2', 4'-dichlorophenyl) Ethanol

28. .alpha.-(2,4-dichlorophenyl)-.beta.-chloroethanol

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₈H₇Cl₃O
Molecular Weight	225.5 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	223.956248 g/mol
Monoisotopic Mass	223.956248 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	142
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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