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113392-21-5 | 1-Propanone, 1-(4-chlorophenyl)-3-(1-pyrrolidinyl)-
CAS No: 113392-21-5 Catalog No: AG0008EJ MDL No:
Product Description
Catalog Number:
AG0008EJ
Chemical Name:
1-Propanone, 1-(4-chlorophenyl)-3-(1-pyrrolidinyl)-
CAS Number:
113392-21-5
Molecular Formula:
C13H16ClNO
Molecular Weight:
237.7252
IUPAC Name:
1-(4-chlorophenyl)-3-pyrrolidin-1-ylpropan-1-one
InChI:
InChI=1S/C13H16ClNO/c14-12-5-3-11(4-6-12)13(16)7-10-15-8-1-2-9-15/h3-6H,1-2,7-10H2
InChI Key:
MEMAXNMORYQANA-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Cl)CCN1CCCC1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.092g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.727g/mol
Monoisotopic Mass:
237.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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