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Home Aldehydes 1-(4-Fluorophenyl)-3,5-dimethyl-1h-pyrazole-4-carbaldehyde

1-(4-Fluorophenyl)-3,5-dimethyl-1h-pyrazole-4-carbaldehyde

CAS No.:
890626-54-7
Catalog Number:
AG004111
Molecular Formula:
C12H11FN2O
Molecular Weight:
218.2269
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG004111
Chemical Name:
1-(4-Fluorophenyl)-3,5-dimethyl-1h-pyrazole-4-carbaldehyde
CAS Number:
890626-54-7
Molecular Formula:
C12H11FN2O
Molecular Weight:
218.2269
MDL Number:
MFCD06655672
IUPAC Name:
1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C12H11FN2O/c1-8-12(7-16)9(2)15(14-8)11-5-3-10(13)4-6-11/h3-7H,1-2H3
InChI Key:
AXOXHQSHPSKAID-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1C)c1ccc(cc1)F
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.086g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.231g/mol
Monoisotopic Mass:
218.086g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties