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87203-05-2 | Ethanone, 1-[5-chloro-2-methoxy-4-(1-piperidinyl)phenyl]-
CAS No: 87203-05-2 Catalog No: AG004SKK MDL No:
Product Description
Catalog Number:
AG004SKK
Chemical Name:
Ethanone, 1-[5-chloro-2-methoxy-4-(1-piperidinyl)phenyl]-
CAS Number:
87203-05-2
Molecular Formula:
C14H18ClNO2
Molecular Weight:
267.7512
IUPAC Name:
1-(5-chloro-2-methoxy-4-piperidin-1-ylphenyl)ethanone
InChI:
InChI=1S/C14H18ClNO2/c1-10(17)11-8-12(15)13(9-14(11)18-2)16-6-4-3-5-7-16/h8-9H,3-7H2,1-2H3
InChI Key:
DEOSDCWUMYRHIM-UHFFFAOYSA-N
SMILES:
COc1cc(N2CCCCC2)c(cc1C(=O)C)Cl
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.103g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.753g/mol
Monoisotopic Mass:
267.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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