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Also known as: 6641-64-1, 3,4-dichloro-6-nitroaniline, Benzenamine, 4,5-dichloro-2-nitro-, 2-nitro-4,5-dichloroaniline, Mfcd00007770, 3i0g2adu1l
Molecular Formula
C6H4Cl2N2O2
Molecular Weight
207.01  g/mol
InChI Key
FSGTULQLEVAYRS-UHFFFAOYSA-N
FDA UNII
3I0G2ADU1L

CAS 6641-64-1
1 2D Structure

CAS 6641-64-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4,5-dichloro-2-nitroaniline
2.1.2 InChI
InChI=1S/C6H4Cl2N2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2
2.1.3 InChI Key
FSGTULQLEVAYRS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])N
2.2 Other Identifiers
2.2.1 UNII
3I0G2ADU1L
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 6641-64-1

2. 3,4-dichloro-6-nitroaniline

3. Benzenamine, 4,5-dichloro-2-nitro-

4. 2-nitro-4,5-dichloroaniline

5. Mfcd00007770

6. 3i0g2adu1l

7. 4.5-dichloro-2-nitroaniline

8. Nsc-17012

9. 1-amino-4,5-dichloro-2-nitrobenzene

10. 4,5-dichloro-2-nitrobenzenamine

11. Unii-3i0g2adu1l

12. 4,5-dichloro-2-nitro-aniline

13. Nsc17012

14. Einecs 229-657-3

15. Schembl1193334

16. Schembl9939970

17. Chembl4451591

18. Dtxsid0073376

19. 4,5-dichloro-2-nitro-phenylamine

20. Act00121

21. Zinc4289464

22. Nsc 17012

23. 4,5-dichloro-2-nitroaniline, 96%

24. Akos000425466

25. Ac-2969

26. Cs-w015295

27. Ps-5761

28. Sb78421

29. Aniline, 4,5-dichloro-2-nitro-

30. Sy003445

31. Db-028651

32. Am20060383

33. D4041

34. Ft-0614218

35. A1-08017

36. W-104751

37. Q27257235

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 207.01 g/mol
Molecular Formula C6H4Cl2N2O2
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass205.9649828 g/mol
Monoisotopic Mass205.9649828 g/mol
Topological Polar Surface Area71.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity185
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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