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Also known as: 98446-49-2, 5-amino-2,4-dichloroanisole, Benzenamine, 2,4-dichloro-5-methoxy-, Mfcd00974410, 2,4-dichloro-5-methoxybenzenamine, 4,6-dichloro-m-anisidine
Molecular Formula
C7H7Cl2NO
Molecular Weight
192.04  g/mol
InChI Key
AJROJTARXSATEB-UHFFFAOYSA-N

CAS 98446-49-2
1 2D Structure

CAS 98446-49-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,4-dichloro-5-methoxyaniline
2.1.2 InChI
InChI=1S/C7H7Cl2NO/c1-11-7-3-6(10)4(8)2-5(7)9/h2-3H,10H2,1H3
2.1.3 InChI Key
AJROJTARXSATEB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C=C(C(=C1)N)Cl)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 98446-49-2

2. 5-amino-2,4-dichloroanisole

3. Benzenamine, 2,4-dichloro-5-methoxy-

4. Mfcd00974410

5. 2,4-dichloro-5-methoxybenzenamine

6. 4,6-dichloro-m-anisidine

7. Mls000707240

8. Schembl108063

9. Chembl1385409

10. 2,4-di-chloro-5-methoxyaniline

11. Amy8893

12. Dtxsid80363100

13. Hms2648d09

14. Act08738

15. Bcp07142

16. Zinc1388874

17. Cl9088

18. Akos005070483

19. 4l-348s

20. Ac-4783

21. Cs-w015831

22. Pb44002

23. Smr000334622

24. Sy032192

25. Db-024742

26. C2963

27. Ft-0642369

28. 446d492

29. J-507133

2.3 Create Date
2005-07-11
3 Chemical and Physical Properties
Molecular Weight 192.04 g/mol
Molecular Formula C7H7Cl2NO
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass190.9904692 g/mol
Monoisotopic Mass190.9904692 g/mol
Topological Polar Surface Area35.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity134
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

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