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16264-88-3 | 1-Propanone, 1-(3-chlorophenyl)-3-(dimethylamino)-, hydrochloride (1:1)
CAS No: 16264-88-3 Catalog No: AG001TAB MDL No:
Product Description
Catalog Number:
AG001TAB
Chemical Name:
1-Propanone, 1-(3-chlorophenyl)-3-(dimethylamino)-, hydrochloride (1:1)
CAS Number:
16264-88-3
Molecular Formula:
C11H15Cl2NO
Molecular Weight:
248.1489
IUPAC Name:
1-(3-chlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride
InChI:
InChI=1S/C11H14ClNO.ClH/c1-13(2)7-6-11(14)9-4-3-5-10(12)8-9;/h3-5,8H,6-7H2,1-2H3;1H
InChI Key:
STABLXCCIMFEIP-UHFFFAOYSA-N
SMILES:
CN(CCC(=O)c1cccc(c1)Cl)C.Cl
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.147g/mol
Monoisotopic Mass:
247.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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