AM20060147

Synopsis, Chemistry

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Also known as: 60211-57-6, (3,5-dichlorophenyl)methanol, Benzenemethanol, 3,5-dichloro-, 3,5-dichlorobenzylic alcohol, 3,5-dichlorobenzylalcohol, 3.5-dichlorobenzyl alcohol

Molecular Formula

C₇H₆Cl₂O

Molecular Weight

177.02 g/mol

InChI Key

VSNNLLQKDRCKCB-UHFFFAOYSA-N

1 2D Structure

AM20060147

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3,5-dichlorophenyl)methanol

2.1.2 InChI

InChI=1S/C7H6Cl2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2

2.1.3 InChI Key

VSNNLLQKDRCKCB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(C=C(C=C1Cl)Cl)CO

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 60211-57-6

2. (3,5-dichlorophenyl)methanol

3. Benzenemethanol, 3,5-dichloro-

4. 3,5-dichlorobenzylic Alcohol

5. 3,5-dichlorobenzylalcohol

6. 3.5-dichlorobenzyl Alcohol

7. Mfcd00004634

8. 3,5-dichlorobenzenemethanol

9. Einecs 262-109-1

10. 3,5-dichlorophenylmethanol

11. Bionet2_000905

12. Schembl92904

13. (3,5-dichlorophenyl)-methanol

14. (3,5-dichloro-phenyl)-methanol

15. (3,5-dichlorophenyl)methanol #

16. Vsnnllqkdrckcb-uhfffaoysa-

17. Dtxsid10208959

18. Hms1366j03

19. Zinc165982

20. 3,5-dichlorobenzyl Alcohol, 98%

21. Act00777

22. Str03140

23. Bbl101112

24. Stl554908

25. Akos005257028

26. Cs-w017385

27. Ac-26186

28. Sy017960

29. Db-013413

30. Am20060147

31. D3791

32. Ft-0614561

33. 10g-918

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₇H₆Cl₂O
Molecular Weight	177.02 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	175.9795702 g/mol
Monoisotopic Mass	175.9795702 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	97.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1