Home Aldehydes 1015845-98-3
1015845-98-3,MFCD08691650
Catalog No.:AA0004TH
1015845-98-3 | 1-(4-Butylphenyl)-1H-pyrazole-4-carbaldehyde
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$74.00   $52.00
- +
5g
95%
in stock  
$212.00   $148.00
- +
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Technical Information
Catalog Number:
AA0004TH
Chemical Name:
1-(4-Butylphenyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
1015845-98-3
Molecular Formula:
C14H16N2O
Molecular Weight:
228.2896
MDL Number:
MFCD08691650
IUPAC Name:
1-(4-butylphenyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C14H16N2O/c1-2-3-4-12-5-7-14(8-6-12)16-10-13(11-17)9-15-16/h5-11H,2-4H2,1H3
InChI Key:
YWQVXGIBKUUUGG-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)n1ncc(c1)C=O
Properties
Computed Properties
 
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.126g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.295g/mol
Monoisotopic Mass:
228.126g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
1-(4-BUTYLPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE 
1015845-98-3 
1H-Pyrazole-4-carboxaldehyde, 1-(4-butylphenyl)- 
CTK3J9953 
DTXSID00649832 
ZX-CM005133 
MFCD08691650 
ZINC14608613 
AKOS022185044 
AJ-65013 
Y-4320 
Literature
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