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Overview of CAS 17609-80-2

Client Email Product
4CH-013335
PharmaCompass
4CH-013335
Also known as: 17609-80-2, Phenol, 4-amino-3-chloro-, 3-chloro-4-aminophenol, 2-chloro-4-hydroxyaniline, 4-amino-3-chloro-phenol, Brn 2802558
Molecular Formula
C6H6ClNO
Molecular Weight
143.57  g/mol
InChI Key
PNLPXABQLXSICH-UHFFFAOYSA-N

1 2D Structure

4CH-013335

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-amino-3-chlorophenol
2.1.2 InChI
InChI=1S/C6H6ClNO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
2.1.3 InChI Key
PNLPXABQLXSICH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1O)Cl)N
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 3-chloro-4-aminophenol

2.2.2 Depositor-Supplied Synonyms

1. 17609-80-2

2. Phenol, 4-amino-3-chloro-

3. 3-chloro-4-aminophenol

4. 2-chloro-4-hydroxyaniline

5. 4-amino-3-chloro-phenol

6. Brn 2802558

7. Einecs 241-583-3

8. Amino(4-)-3-chlorophenol

9. Pubchem4513

10. 4-amino-3-chloro-pheno

11. Ac1l3d4l

12. Ac1q3mm4

13. Schembl33714

14. 3-13-00-01184 (beilstein Handbook Reference)

15. Ac1q523x

16. Jsp003614

17. Ctk3j7411

18. Dtxsid30170083

19. Molport-001-792-483

20. Pnlpxabqlxsich-uhfffaoysa-n

21. Am790

22. Zinc395500

23. Act11707

24. Bcp09854

25. Ebd36301

26. Ks-00000ke9

27. Anw-43832

28. Mfcd00801116

29. Sbb069955

30. Akos009157102

31. Ac-7579

32. An-8860

33. As05415

34. As06974

35. Ca-1268

36. Cm11558

37. Cs-w019864

38. Ls11520

39. Mb01478

40. Mcule-8225784061

41. Mp-0379

42. Rp10114

43. Aj-21494

44. Ak-33743

45. An-40982

46. Bc210179

47. Cj-03655

48. Ds-12517

49. Kb-36344

50. Sc-07607

51. Sy019740

52. Zb012513

53. Ab0066174

54. Ls-103866

55. Ls-103880

56. Rt-003835

57. St2418094

58. 4ch-013335

59. A3909

60. Ft-0602142

61. Z4295

62. Mfcd00801116 (95%)

63. 3-chloro-4-aminophenol;4-amino-3-chloro-pheno

64. A19882

65. 609a802

66. An-584/43422655

67. S01-0530

68. W-107841

69. L-valine Ethyl Ester Hydrochloride; Ethyl 2-amino-3-methylbutanoate Hydrochloride

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 143.57 g/mol
Molecular Formula C6H6ClNO
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass143.014 g/mol
Monoisotopic Mass143.014 g/mol
Topological Polar Surface Area46.2 A^2
Heavy Atom Count9
Formal Charge0
Complexity99.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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