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 Formula	C₇H₇Cl₂NO
Molecular Weight	192.04 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	190.9904692 g/mol
Monoisotopic Mass	190.9904692 g/mol
Topological Polar Surface Area	35.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	134
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

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Chemistry

3 End Use API

7 Related Intermediates

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