CAS 947-95-5

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CHEMISTRY

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BUILDING BLOCK

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1 End Use APIs
37 Related Intermediates

Chemistry

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Also known as: Dtxsid10346527, Dtxcid00297599, 947-95-5, 5-chloro-3-methyl-1-phenylpyrazole-4-carbaldehyde, Mfcd00100755, 5-chloro-4-formyl-3-methyl-1-phenylpyrazole

Molecular Formula

C₁₁H₉ClN₂O

Molecular Weight

220.65 g/mol

InChI Key

DKZPJLZXLKAMDO-UHFFFAOYSA-N

structure in first source

1 2D Structure

CAS 947-95-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-chloro-3-methyl-1-phenylpyrazole-4-carbaldehyde

2.1.2 InChI

InChI=1S/C11H9ClN2O/c1-8-10(7-15)11(12)14(13-8)9-5-3-2-4-6-9/h2-7H,1H3

2.1.3 InChI Key

DKZPJLZXLKAMDO-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Dtxsid10346527

2. Dtxcid00297599

3. 947-95-5

4. 5-chloro-3-methyl-1-phenylpyrazole-4-carbaldehyde

5. Mfcd00100755

6. 5-chloro-4-formyl-3-methyl-1-phenylpyrazole

7. 5-chloro-3-methyl-1-phenylpyrazole-4-carboxaldehyde

8. 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxaldehyde

9. 5-chloro-3-methyl-1-phenyl-1h-pyrazole-4-carboxaldehyde

10. Schembl1267498

11. Albb-004688

12. Cs-m3111

13. Bbl008402

14. Sbb000598

15. Stk081541

16. Akos000265664

17. Ac-11882

18. Bp-13227

19. St005560

20. Sy079893

21. C3559

22. En300-00954

23. 11g-910

24. Chloro-3-methyl-1-phenylpyrazole-4-carboxaldehyde

25. Z56787317

26. Pyrazole-4-carboxaldehyde, 5-chloro-3-methyl-1-phenyl-

27. 1h-pyrazole-4-carboxaldehyde, 5-chloro-3-methyl-1-phenyl-

28. 1h-pyrazole-4-carboxaldehyde,5-chloro-3-methyl-1-phenyl-

29. 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxaldehyde, 99%

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₉ClN₂O
Molecular Weight	220.65 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	34.9
Heavy Atom Count	15
Formal Charge	0
Complexity	231
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