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1339473-49-2 | 2-Chloro-1-(4-methoxymethyl-piperidin-1-yl)-ethanone
CAS No: 1339473-49-2 Catalog No: AG01F8GY MDL No:
Product Description
Catalog Number:
AG01F8GY
Chemical Name:
2-Chloro-1-(4-methoxymethyl-piperidin-1-yl)-ethanone
CAS Number:
1339473-49-2
Molecular Formula:
C9H16ClNO2
Molecular Weight:
205.6818
IUPAC Name:
2-chloro-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
InChI:
InChI=1S/C9H16ClNO2/c1-13-7-8-2-4-11(5-3-8)9(12)6-10/h8H,2-7H2,1H3
InChI Key:
DGPJMKGQBOMPEE-UHFFFAOYSA-N
SMILES:
COCC1CCN(CC1)C(=O)CCl
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.087g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.682g/mol
Monoisotopic Mass:
205.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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