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250718-96-8 | 4-Piperidinone, 1-(3-chloro-4-methoxyphenyl)-
CAS No: 250718-96-8 Catalog No: AG002QE1 MDL No:
Product Description
Catalog Number:
AG002QE1
Chemical Name:
4-Piperidinone, 1-(3-chloro-4-methoxyphenyl)-
CAS Number:
250718-96-8
Molecular Formula:
C12H14ClNO2
Molecular Weight:
239.6981
IUPAC Name:
1-(3-chloro-4-methoxyphenyl)piperidin-4-one
InChI:
InChI=1S/C12H14ClNO2/c1-16-12-3-2-9(8-11(12)13)14-6-4-10(15)5-7-14/h2-3,8H,4-7H2,1H3
InChI Key:
QHAVBQDOFKTXRC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Cl)N1CCC(=O)CC1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.071g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.699g/mol
Monoisotopic Mass:
239.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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