CAS 33924-48-0

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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

CAS 33924-48-0

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 Formula	C₉H₉ClO₃
Molecular Weight	200.62 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	35.5
Heavy Atom Count	13
Formal Charge	0
Complexity	184
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