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Home > Aldehydes > 109925-42-0
109925-42-0 | 1-Methyl-5-phenoxy-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
CAS No: 109925-42-0 Catalog No: AG007EF3 MDL No:MFCD01936001
Product Description
Catalog Number:
AG007EF3
Chemical Name:
1-Methyl-5-phenoxy-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
109925-42-0
Molecular Formula:
C12H9F3N2O2
Molecular Weight:
270.2073
MDL Number:
MFCD01936001
IUPAC Name:
1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C12H9F3N2O2/c1-17-11(19-8-5-3-2-4-6-8)9(7-18)10(16-17)12(13,14)15/h2-7H,1H3
InChI Key:
JDLPKSIFGPLXAU-UHFFFAOYSA-N
SMILES:
O=Cc1c(Oc2ccccc2)n(nc1C(F)(F)F)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.211g/mol
Monoisotopic Mass:
270.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| 1-Methyl-5-phen-oxy-3-trifluoro-methyl-1H-pyrazole-4-carbaldehyde oxime. | Acta crystallographica. Section E, Structure reports online 20110401 |
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