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26163-40-6 | Methanone, (4-chlorophenyl)-1-piperidinyl-
CAS No: 26163-40-6 Catalog No: AG002RXY MDL No:MFCD00584705
Product Description
Catalog Number:
AG002RXY
Chemical Name:
Methanone, (4-chlorophenyl)-1-piperidinyl-
CAS Number:
26163-40-6
Molecular Formula:
C12H14ClNO
Molecular Weight:
223.6987
MDL Number:
MFCD00584705
IUPAC Name:
(4-chlorophenyl)-piperidin-1-ylmethanone
InChI:
InChI=1S/C12H14ClNO/c13-11-6-4-10(5-7-11)12(15)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2
InChI Key:
GFOLEAQQESSXFL-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Cl)N1CCCCC1
NSC Number:
14877
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.076g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.7g/mol
Monoisotopic Mass:
223.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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