CAS 26033-20-5

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Also known as: 3-phenyl-1h-pyrazole-4-carboxaldehyde, Dtxsid10303211, Refchem:95309, Dtxcid00254344, 632-673-7, Occfxkqcksleii-uhfffaoysa-n

Molecular Formula

C₁₀H₈N₂O

Molecular Weight

172.18 g/mol

InChI Key

OCCFXKQCKSLEII-UHFFFAOYSA-N

1 2D Structure

CAS 26033-20-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-phenyl-1H-pyrazole-4-carbaldehyde

2.1.2 InChI

InChI=1S/C10H8N2O/c13-7-9-6-11-12-10(9)8-4-2-1-3-5-8/h1-7H,(H,11,12)

2.1.3 InChI Key

OCCFXKQCKSLEII-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 3-phenyl-1h-pyrazole-4-carboxaldehyde

2. Dtxsid10303211

3. Refchem:95309

4. Dtxcid00254344

5. 632-673-7

6. Occfxkqcksleii-uhfffaoysa-n

7. 26033-20-5

8. 5-phenyl-1h-pyrazole-4-carbaldehyde

9. 1h-pyrazole-4-carboxaldehyde, 3-phenyl-

10. Mfcd00216971

11. 3-phenylpyrazole-4-carboxaldehyde

12. 5-phenylpyrazole-4-carbaldehyde

13. Nsc157355

14. 3-phenyl-4-formylpyrazole

15. Cambridge Id 5132647

16. Mls000718594

17. Schembl1335198

18. Chembl1874396

19. Schembl27991335

20. Hms2668c08

21. 3-phenyl-1h-pyrazol-4-carbaldehyd

22. Albb-000093

23. Bb_sc-07757

24. Mfcd11900092

25. Sbb000177

26. Stk065359

27. Stk114964

28. Td8025

29. Akos000112497

30. Akos001476240

31. 3-phenylpyrazole-4-carbaldehyde

32. Ab04911

33. Cs-w017599

34. Nsc-157355

35. Ncgc00342077-01

36. Ac-28030

37. Bp-11197

38. Smr000290862

39. St031615

40. Sy032669

41. Db-028826

42. 3-phenyl-1h-pyrazole-4-carboxaldehyde, 97%

43. En300-16825

44. 2p-002

45. Ab00582275-07

46. 033p205

47. Ae-848/32509041

48. F015669

49. Z56787297

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₈N₂O
Molecular Weight	172.18 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	45.8
Heavy Atom Count	13
Formal Charge	0
Complexity	178
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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