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114370-15-9 | Ethanone, 2,2-dichloro-1-(1,2,3,4-tetrahydro-1-methyl-2-quinolinyl)-
CAS No: 114370-15-9 Catalog No: AG000B64 MDL No:
Product Description
Catalog Number:
AG000B64
Chemical Name:
Ethanone, 2,2-dichloro-1-(1,2,3,4-tetrahydro-1-methyl-2-quinolinyl)-
CAS Number:
114370-15-9
Molecular Formula:
C12H13Cl2NO
Molecular Weight:
258.1437
IUPAC Name:
2,2-dichloro-1-(1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanone
InChI:
InChI=1S/C12H13Cl2NO/c1-15-9-5-3-2-4-8(9)6-7-10(15)11(16)12(13)14/h2-5,10,12H,6-7H2,1H3
InChI Key:
RQEJYXJUOGRDPS-UHFFFAOYSA-N
SMILES:
O=C(C1CCc2c(N1C)cccc2)C(Cl)Cl
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.037g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.142g/mol
Monoisotopic Mass:
257.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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