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1440-60-4 | Ethanone, 2-chloro-1-(1-piperidinyl)-
CAS No: 1440-60-4 Catalog No: AG001IS4 MDL No:MFCD01095825
Product Description
Catalog Number:
AG001IS4
Chemical Name:
Ethanone, 2-chloro-1-(1-piperidinyl)-
CAS Number:
1440-60-4
Molecular Formula:
C7H12ClNO
Molecular Weight:
161.6293
MDL Number:
MFCD01095825
IUPAC Name:
2-chloro-1-piperidin-1-ylethanone
InChI:
InChI=1S/C7H12ClNO/c8-6-7(10)9-4-2-1-3-5-9/h1-6H2
InChI Key:
NSWLMOHUXYULKL-UHFFFAOYSA-N
SMILES:
ClCC(=O)N1CCCCC1
NSC Number:
8198
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.061g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.629g/mol
Monoisotopic Mass:
161.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Design, synthesis and biological evaluation of Trypanosoma brucei trypanothione synthetase inhibitors. | ChemMedChem 20120102 |
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