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Home > Aldehydes > 890626-54-7
890626-54-7 | 1H-Pyrazole-4-carboxaldehyde,1-(4-fluorophenyl)-3,5-dimethyl-
CAS No: 890626-54-7 Catalog No: AG004111 MDL No:MFCD06655672
Product Description
Catalog Number:
AG004111
Chemical Name:
1H-Pyrazole-4-carboxaldehyde,1-(4-fluorophenyl)-3,5-dimethyl-
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
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