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93467-56-2 | 2-(3,4-Dichlorophenyl)acetaldehyde
CAS No: 93467-56-2 Catalog No: AG006FHE MDL No:MFCD02261741
Product Description
Catalog Number:
AG006FHE
Chemical Name:
2-(3,4-Dichlorophenyl)acetaldehyde
CAS Number:
93467-56-2
Molecular Formula:
C8H6Cl2O
Molecular Weight:
189.0386
MDL Number:
MFCD02261741
IUPAC Name:
2-(3,4-dichlorophenyl)acetaldehyde
InChI:
InChI=1S/C8H6Cl2O/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,4-5H,3H2
InChI Key:
IGCIXTSHNCIYBP-UHFFFAOYSA-N
SMILES:
O=CCc1ccc(c(c1)Cl)Cl
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.98g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.035g/mol
Monoisotopic Mass:
187.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Synthesis of 7,9-diazabicyclo[4.2.2]decanes as conformationally restricted κ receptor agonists: fine tuning of the dihedral angle of the ethylenediamine pharmacophore. | European journal of medicinal chemistry 20110601 |
| Stereoselective synthesis and structure-affinity relationships of bicyclic kappa receptor agonists. | Organic & biomolecular chemistry 20100107 |
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