CAS 88744-36-9

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Also known as: 88744-36-9, 141196-64-7, 2-(2-chlorophenyl)glycine, 2-chlorophenylglycine, Amino-(2-chloro-phenyl)-acetic acid, H-dl-phg(2-cl)-oh

Molecular Formula

C₈H₈ClNO₂

Molecular Weight

185.61 g/mol

InChI Key

LMIZLNPFTRQPSF-UHFFFAOYSA-N

FDA UNII

33MO79FI81

1 2D Structure

CAS 88744-36-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-amino-2-(2-chlorophenyl)acetic acid

2.1.2 InChI

InChI=1S/C8H8ClNO2/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)

2.1.3 InChI Key

LMIZLNPFTRQPSF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C(=C1)C(C(=O)O)N)Cl

2.2 Other Identifiers

2.2.1 UNII

33MO79FI81

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 88744-36-9

2. 141196-64-7

3. 2-(2-chlorophenyl)glycine

4. 2-chlorophenylglycine

5. Amino-(2-chloro-phenyl)-acetic Acid

6. H-dl-phg(2-cl)-oh

7. Dl-2-(2-chlorophenyl)glycine

8. Amino(2-chlorophenyl)acetic Acid

9. Dl-2-chlorophenylglycine

10. 2-chloro-dl-phenylglycine

11. Dl-(2-chlorophenyl) Glycine

12. (+/-)-2-chlorophenylglycine

13. 2-chlorophenyl Glycine

14. Dl-2-chloro Phenyl Glycine

15. Glycine, 2-(o-chlorophenyl)-

16. Rwj-333369 Metabolite M1

17. 33mo79fi81

18. Mfcd00049324

19. Nsc-154921

20. L-2-chlorophenylglycine

21. R342141

22. 2-chloro Phenyl Glycine

23. Amino-(2-chloro-phenyl)-aceticacid

24. Nsc154921

25. Dl-o-chlorophenyl Glycine

26. 2-(2-chlorphenyl)glycin

27. (+/-)-alpha-amino-2-chlorophenylacetic Acid

28. Dl-(2-chlorophenyl)glycine

29. Unii-33mo79fi81

30. 2-(2-chlorophenyl)-d-glycine

31. Schembl1159922

32. Dl 2-(2-chlorophenyl)-glycine

33. Chembl4090544

34. Dtxsid80302892

35. A-amino-2-chlorophenylacetic Acid

36. Bbl022164

37. Stk138986

38. Alpha-amino-2-chlorophenylacetic Acid

39. Glycine,2-(o-chlorophenyl)- (7ci)

40. Akos000180932

41. Akos016051305

42. Ab02080

43. Ab14834

44. Ac-6760

45. Cs-w002235

46. Fs-1285

47. Fs-1286

48. Hy-w002235

49. Nsc 154921

50. 2-(2-chlorophenyl)-dl-glycine

51. Ac-23602

52. Sy014107

53. Db-031734

54. (+/-) Amino-(2-chloro-phenyl)-acetic Acid

55. Am20060841

56. Bb 0249644

57. Ft-0602585

58. Ft-0611996

59. Ft-0630316

60. Ft-0643324

61. .alpha.-amino-2-chlorophenylacetic Acid

62. 96c647

63. (+/-)-2-chlorophenylglycine, >=98.0% (tlc)

64. Benzeneacetic Acid, Alpha-amino-2-chloro-

65. Benzeneacetic Acid, .alpha.-amino-2-chloro-

66. Q-102256

67. Q-102776

68. F2167-0077

69. 2-(2-chlorophenylamino)acetic Acid;d-(+)-2-chlorophenylglycine

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₈ClNO₂
Molecular Weight	185.61 g/mol
XLogP3	-1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	185.0243562 g/mol
Monoisotopic Mass	185.0243562 g/mol
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	174
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1