CAS 134-84-9

Chemistry

Chemistry

Also known as: 134-84-9, Phenyl(p-tolyl)methanone, P-methylbenzophenone, (4-methylphenyl)(phenyl)methanone, Methanone, (4-methylphenyl)phenyl-, P-benzoyltoluene

Molecular Formula

C₁₄H₁₂O

Molecular Weight

196.24 g/mol

InChI Key

WXPWZZHELZEVPO-UHFFFAOYSA-N

FDA UNII

B2F68X17BM

1 2D Structure

CAS 134-84-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4-methylphenyl)-phenylmethanone

2.1.2 InChI

InChI=1S/C14H12O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3

2.1.3 InChI Key

WXPWZZHELZEVPO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2

2.2 Other Identifiers

2.2.1 UNII

B2F68X17BM

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 134-84-9

2. Phenyl(p-tolyl)methanone

3. P-methylbenzophenone

4. (4-methylphenyl)(phenyl)methanone

5. Methanone, (4-methylphenyl)phenyl-

6. P-benzoyltoluene

7. 4-methyl Benzophenone

8. Phenyl P-tolyl Ketone

9. (4-methylphenyl)-phenylmethanone

10. P-benzophenone, Methyl-

11. Benzophenone, 4-methyl-

12. Usaf Do-54

13. 4-benzoyltoluene

14. Nsc 4898

15. 4-methybenzophenone

16. Mfcd00008553

17. B2f68x17bm

18. Nsc-4898

19. 4-methyl-benzophenone

20. Einecs 205-159-1

21. 4-methylphenyl Phenyl Ketone

22. Unii-b2f68x17bm

23. (4-methylphenyl)phenylmethanone

24. Ai3-18452

25. Nsc4898

26. Phenyl-p-tolyl-methanone

27. Schembl235

28. Wln: 1r Dvr

29. 4-methylbenzophenone, 99%

30. Dsstox_cid_17741

31. Dsstox_rid_79370

32. Dsstox_gsid_37741

33. Chembl371531

34. Dtxsid9037741

35. (4-methyphenyl)(phenyl)methanone

36. Str09876

37. Zinc1680440

38. Tox21_301629

39. Ac7898

40. Akos003809024

41. Cs-w010591

42. Ps-8267

43. 4-methylbenzophenone, Analytical Standard

44. Ncgc00164221-01

45. Ncgc00255430-01

46. Ac-11601

47. Cas-134-84-9

48. Sy009656

49. Db-014507

50. Am20060847

51. Ft-0619064

52. Ft-0671519

53. M1248

54. En300-20231

55. 134m849

56. Ae-641/00364041

57. W-108279

58. Q27274279

59. Z1250132270

60. Benzyl Methyl Sulfide, United States Pharmacopeia (usp) Reference Standard

61. 42343-24-8

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₂O
Molecular Weight	196.24 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	196.088815002 g/mol
Monoisotopic Mass	196.088815002 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	207
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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