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947-95-5 | 5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
CAS No: 947-95-5 Catalog No: AG003490 MDL No:MFCD00100755
Product Description
Catalog Number:
AG003490
Chemical Name:
5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
CAS Number:
947-95-5
Molecular Formula:
C11H9ClN2O
Molecular Weight:
220.6550
MDL Number:
MFCD00100755
IUPAC Name:
5-chloro-3-methyl-1-phenylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H9ClN2O/c1-8-10(7-15)11(12)14(13-8)9-5-3-2-4-6-9/h2-7H,1H3
InChI Key:
DKZPJLZXLKAMDO-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1Cl)c1ccccc1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.656g/mol
Monoisotopic Mass:
220.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and antioxidant evaluation of some new pyrazolopyridine derivatives. | Archiv der Pharmazie 20120201 |
| Synthesis and antioxidant evaluation of some new 3-substituted coumarins. | Archiv der Pharmazie 20111101 |
| Thermal solvent-free synthesis of novel pyrazolyl chalcones and pyrazolines as potential antimicrobial agents. | Bioorganic & medicinal chemistry letters 20110515 |
| Synthesis of some new pyrimido[2',1':2,3]thiazolo[4,5-b]quinoxaline derivatives as anti-inflammatory and analgesic agents. | European journal of medicinal chemistry 20100501 |
| Ethyl 4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6-methyl-2-oxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20090601 |
| The tert-amino effect in heterocyclic chemistry: synthesis of new fused pyrazolinoquinolizine and 1,4-oxazinopyrazoline derivatives. | Beilstein journal of organic chemistry 20070101 |
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