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13241-78-6 | Ethanone, 2-(2,4-dichlorophenoxy)-1-(3,5-dimethyl-1H-pyrazol-1-yl)-
CAS No: 13241-78-6 Catalog No: AG0010O7 MDL No:
Product Description
Catalog Number:
AG0010O7
Chemical Name:
Ethanone, 2-(2,4-dichlorophenoxy)-1-(3,5-dimethyl-1H-pyrazol-1-yl)-
CAS Number:
13241-78-6
Molecular Formula:
C13H12Cl2N2O2
Molecular Weight:
299.1526
IUPAC Name:
2-(2,4-dichlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
InChI:
InChI=1S/C13H12Cl2N2O2/c1-8-5-9(2)17(16-8)13(18)7-19-12-4-3-10(14)6-11(12)15/h3-6H,7H2,1-2H3
InChI Key:
WGEUSFXLHJRECP-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)OCC(=O)n1nc(cc1C)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.028g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.151g/mol
Monoisotopic Mass:
298.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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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