Home Halogens 2-chloro-1-(2-methyl-1,2,3,4-tetrahydroquinolin-1-yl)propan-1-one

2-chloro-1-(2-methyl-1,2,3,4-tetrahydroquinolin-1-yl)propan-1-one

CAS No.:
78142-21-9
Catalog Number:
AG019KS4
Molecular Formula:
C13H16ClNO
Molecular Weight:
237.7252
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Product Description
Catalog Number:
AG019KS4
Chemical Name:
2-chloro-1-(2-methyl-1,2,3,4-tetrahydroquinolin-1-yl)propan-1-one
CAS Number:
78142-21-9
Molecular Formula:
C13H16ClNO
Molecular Weight:
237.7252
MDL Number:
MFCD09930466
IUPAC Name:
2-chloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
InChI:
InChI=1S/C13H16ClNO/c1-9-7-8-11-5-3-4-6-12(11)15(9)13(16)10(2)14/h3-6,9-10H,7-8H2,1-2H3
InChI Key:
PTUVKKDISBBSLU-UHFFFAOYSA-N
SMILES:
CC1CCc2c(N1C(=O)C(Cl)C)cccc2
Properties
Complexity:
269  
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:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.727g/mol
Monoisotopic Mass:
237.092g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties