Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 33924-48-0, Methyl 5-chloro-o-anisate, Benzoic acid, 5-chloro-2-methoxy-, methyl ester, 5-chloro-2-methoxybenzoic acid methyl ester, Methyl-5-chloro-2-methoxybenzoate, Methyl 5-chloro-2-methoxy-d3-benzoate
Molecular Formula
C9H9ClO3
Molecular Weight
200.62  g/mol
InChI Key
HPTHYBXMNNGQEF-UHFFFAOYSA-N
FDA UNII
AU3X59V4WD

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 5-chloro-2-methoxybenzoate
2.1.2 InChI
InChI=1S/C9H9ClO3/c1-12-8-4-3-6(10)5-7(8)9(11)13-2/h3-5H,1-2H3
2.1.3 InChI Key
HPTHYBXMNNGQEF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C=C(C=C1)Cl)C(=O)OC
2.2 Other Identifiers
2.2.1 UNII
AU3X59V4WD
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 33924-48-0

2. Methyl 5-chloro-o-anisate

3. Benzoic Acid, 5-chloro-2-methoxy-, Methyl Ester

4. 5-chloro-2-methoxybenzoic Acid Methyl Ester

5. Methyl-5-chloro-2-methoxybenzoate

6. Methyl 5-chloro-2-methoxy-d3-benzoate

7. 4-chloro-2-(methoxycarbonyl)anisole

8. Methyl 5-choro-2-methoxybenzoate

9. Mfcd00017511

10. 1219803-33-4

11. Dtxsid8057720

12. 5-chloro-2-methoxy-benzoicacidmethylester-13c2,d6

13. Methyl5-chloro-2-methoxybenzoate

14. Einecs 251-743-4

15. 5-chloro-o-anisic Acid Methyl Ester

16. 5-chloro-2-methoxy-benzoic Acid Methyl Ester

17. Au3x59v4wd

18. Schembl1095516

19. Chembl3188482

20. Dtxcid5031509

21. Methyl 5-chloro-2-methoxy-benzoate

22. Tox21_113805

23. Akos000120261

24. Cs-w015589

25. Ncgc00253681-01

26. As-61401

27. Methyl 5-chloro-2-methoxybenzoate, 98%

28. Sy048291

29. Cas-33924-48-0

30. Db-048527

31. Ns00029571

32. En300-15445

33. D89410

34. A822001

35. Sr-01000944765

36. Sr-01000944765-1

37. W-106762

38. Brd-k98822077-001-01-1

39. Z16189275

40. Inchi=1/c9h9clo3/c1-12-8-4-3-6(10)5-7(8)9(11)13-2/h3-5h,1-2h

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 200.62 g/mol
Molecular Formula C9H9ClO3
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area35.5
Heavy Atom Count13
Formal Charge0
Complexity184
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1