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2-chloro-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-chloro-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

CAS: 544692-44-6

Formula: C12H13ClFNO

SMILES: CC1CCC2=CC(F)=CC=C2N1C(=O)CCl

IUPAC: 2-chloro-1-(6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

InChI: InChI=1/C12H13ClFNO/c1-8-2-3-9-6-10(14)4-5-11(9)15(8)12(16)7-13/h4-6,8H,2-3,7H2,1H3

Composition: C (59.63%), H (5.42%), Cl (14.67%), F (7.86%), N (5.80%), O (6.62%)

Molar Mass: 241.69

Atom Count: 29

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 241.0669699
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey IBNJYMSLQFJRQV-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.34
Topological Polar Surface Area 20.31
Polarizability 23.38
Ring Count 2
Rotatable Bond Count 1

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