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Home > Aldehydes > 109925-28-2
109925-28-2 | 1,3-DIMETHYL-5-[3-(TRIFLUOROMETHYL)PHENOXY]-1H-PYRAZOLE-4-CARBALDEHYDE
CAS No: 109925-28-2 Catalog No: AG009OE9 MDL No:MFCD00215392
Product Description
Catalog Number:
AG009OE9
Chemical Name:
1,3-DIMETHYL-5-[3-(TRIFLUOROMETHYL)PHENOXY]-1H-PYRAZOLE-4-CARBALDEHYDE
CAS Number:
109925-28-2
Molecular Formula:
C13H11F3N2O2
Molecular Weight:
284.2338
MDL Number:
MFCD00215392
IUPAC Name:
1,3-dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carbaldehyde
InChI:
InChI=1S/C13H11F3N2O2/c1-8-11(7-19)12(18(2)17-8)20-10-5-3-4-9(6-10)13(14,15)16/h3-7H,1-2H3
InChI Key:
DYGWMDGJMIQAFE-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1Oc1cccc(c1)C(F)(F)F)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.077g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.238g/mol
Monoisotopic Mass:
284.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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