Home Aldehydes 3-tert-butyl-1-phenyl-1H-pyrazole-4-carbaldehyde

3-tert-butyl-1-phenyl-1H-pyrazole-4-carbaldehyde

CAS No.:
819793-66-3
Catalog Number:
AG019ZOW
Molecular Formula:
C14H16N2O
Molecular Weight:
228.2896
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Product Description
Catalog Number:
AG019ZOW
Chemical Name:
3-tert-butyl-1-phenyl-1H-pyrazole-4-carbaldehyde
CAS Number:
819793-66-3
Molecular Formula:
C14H16N2O
Molecular Weight:
228.2896
MDL Number:
MFCD11180134
IUPAC Name:
3-tert-butyl-1-phenylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C14H16N2O/c1-14(2,3)13-11(10-17)9-16(15-13)12-7-5-4-6-8-12/h4-10H,1-3H3
InChI Key:
JYZCRVHXVAPFRV-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1C(C)(C)C)c1ccccc1
Properties
Complexity:
266  
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:
3  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties