CAS 4093-31-6 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 4093-31-6, Methyl 4-acetamido-5-chloro-o-anisate, Benzoic acid, 4-(acetylamino)-5-chloro-2-methoxy-, methyl ester, Mfcd00048191, Methyl 4-(acetylamino)-5-chloro-2-methoxybenzoate, 3d7z5o4uxa
Molecular Formula
C11H12ClNO4
Molecular Weight
257.67  g/mol
InChI Key
OUEXNQRVYGYGIK-UHFFFAOYSA-N
FDA UNII
3D7Z5O4UXA

CAS 4093-31-6
1 2D Structure

CAS 4093-31-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 4-acetamido-5-chloro-2-methoxybenzoate
2.1.2 InChI
InChI=1S/C11H12ClNO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14)
2.1.3 InChI Key
OUEXNQRVYGYGIK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)OC)Cl
2.2 Other Identifiers
2.2.1 UNII
3D7Z5O4UXA
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 4093-31-6

2. Methyl 4-acetamido-5-chloro-o-anisate

3. Benzoic Acid, 4-(acetylamino)-5-chloro-2-methoxy-, Methyl Ester

4. Mfcd00048191

5. Methyl 4-(acetylamino)-5-chloro-2-methoxybenzoate

6. 3d7z5o4uxa

7. Dtxsid6057740

8. Methyl 2-methoxy-4-acetamido-5-chlorobenzoate

9. Methyl 2-methoxy-4-acetylamino-5-chlorobenzoate

10. Methyl 4-acetylamino-5-chloro-2-methoxybenzoate

11. 4-acetamido-5-chloro-2-methoxybenzoic Acid Methyl Ester

12. Unii-3d7z5o4uxa

13. Einecs 223-840-1

14. Methyl 5-chloro-4-acetamido-2-methoxybenzoate

15. Ec 223-840-1

16. Oprea1_093629

17. Schembl130152

18. Chembl3561753

19. Dtxcid3031529

20. Bcp30994

21. Tox21_113842

22. Ac7971

23. Akos002952816

24. Ncgc00253723-01

25. Ac-14848

26. As-12356

27. Sy034797

28. Cas-4093-31-6

29. Db-049684

30. Cs-0128349

31. Ft-0617372

32. Methyl4-acetamido-5-chloro-2-methoxybenzoate

33. Methyl-4-acetamido-5-chloro-2-methoxybenzoate

34. Methyl 4-acetamido-5-chloro-2-methoxy-benzoate

35. Metoclopramide Impurity B [ep Impurity]

36. Sr-01000944779

37. Sr-01000944779-1

38. W-106329

39. Methyl 4-acetamido-5-chloro-2-methoxybenzoate, 99%

40. Q27257067

41. Methyl 4-(acetylamino)-5-chloro-2-(methyloxy)benzoate

42. Methyl-4-acetylamino-5-chloro-2-methoxybenzoate

43. 4-acetylamino-5-chloro-2-methoxy-benzoic Acid Methyl Ester

44. 2-methoxy-4-(acetylamino)-5-chlorobenzoic Acid Methyl Ester

45. 4-(n-acetylamino)-5-chloro-2-methoxybenzoic Acid, Methyl Ester

2.4 Create Date
2005-07-08
3 Chemical and Physical Properties
Molecular Weight 257.67 g/mol
Molecular Formula C11H12ClNO4
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area64.6
Heavy Atom Count17
Formal Charge0
Complexity297
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty