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2D Structure
Also known as: 2401-24-3, 6-chloro-m-anisidine, 3-amino-4-chloroanisole, Benzenamine, 2-chloro-5-methoxy-, Mfcd00047830, 8uq785s8u6
Molecular Formula
C7H8ClNO
Molecular Weight
157.60  g/mol
InChI Key
GBOUQGUQUUPGLO-UHFFFAOYSA-N
FDA UNII
8UQ785S8U6

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloro-5-methoxyaniline
2.1.2 InChI
InChI=1S/C7H8ClNO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
2.1.3 InChI Key
GBOUQGUQUUPGLO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC(=C(C=C1)Cl)N
2.2 Other Identifiers
2.2.1 UNII
8UQ785S8U6
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2401-24-3

2. 6-chloro-m-anisidine

3. 3-amino-4-chloroanisole

4. Benzenamine, 2-chloro-5-methoxy-

5. Mfcd00047830

6. 8uq785s8u6

7. 2-chloro-5-methoxyanilinehydrochloride

8. 2-chloro-5-methoxy-aniline

9. Einecs 219-277-6

10. 2-chloro-5-methoxy-phenylamine

11. 2-chloro-5-methoxybenzenamine Hydrochloride

12. 3-methoxy-6-chloroaniline

13. 6-chloro-3-methoxyaniline

14. 2-chloro-5-methoxyanilline

15. Schembl110854

16. Unii-8uq785s8u6

17. Dtxsid70178745

18. 2-chloro-5-methoxyaniline, 97%

19. Zinc388309

20. Act07778

21. 2-chloro-5-methoxybenzenamine

22. Akos009157551

23. Am61860

24. Cs-w010906

25. As-15825

26. Sy008447

27. Db-046317

28. Ft-0621076

29. En300-55636

30. A19752

31. 401c243

32. F5608-0060

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 157.60 g/mol
Molecular Formula C7H8ClNO
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass157.0294416 g/mol
Monoisotopic Mass157.0294416 g/mol
Topological Polar Surface Area35.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1