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Home > Aldehydes > 109925-13-5
109925-13-5 | 5-(4-CHLOROPHENOXY)-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBALDEHYDE
CAS No: 109925-13-5 Catalog No: AG008S19 MDL No:MFCD00215390
Product Description
Catalog Number:
AG008S19
Chemical Name:
5-(4-CHLOROPHENOXY)-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBALDEHYDE
CAS Number:
109925-13-5
Molecular Formula:
C12H11ClN2O2
Molecular Weight:
250.6809
MDL Number:
MFCD00215390
IUPAC Name:
5-(4-chlorophenoxy)-1,3-dimethylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C12H11ClN2O2/c1-8-11(7-16)12(15(2)14-8)17-10-5-3-9(13)4-6-10/h3-7H,1-2H3
InChI Key:
IYPAPVDFYYEDPJ-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)nn(c1Oc1ccc(cc1)Cl)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.682g/mol
Monoisotopic Mass:
250.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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