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849122-18-5 | Piperidine, 1-[[2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy]acetyl]-
CAS No: 849122-18-5 Catalog No: AG004PQ9 MDL No:
Product Description
Catalog Number:
AG004PQ9
Chemical Name:
Piperidine, 1-[[2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy]acetyl]-
CAS Number:
849122-18-5
Molecular Formula:
C18H21Cl2NO3
Molecular Weight:
370.2702
IUPAC Name:
1-[2,3-dichloro-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-methylidenebutan-1-one
InChI:
InChI=1S/C18H21Cl2NO3/c1-3-12(2)18(23)13-7-8-14(17(20)16(13)19)24-11-15(22)21-9-5-4-6-10-21/h7-8H,2-6,9-11H2,1H3
InChI Key:
IRRCPHHFJTUWFA-UHFFFAOYSA-N
SMILES:
CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)N1CCCCC1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.09g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.27g/mol
Monoisotopic Mass:
369.09g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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