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1201225-04-8 | Ethanone, 2-chloro-1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-1(2H)-pyridinyl]-
CAS No: 1201225-04-8 Catalog No: AG000QCP MDL No:MFCD22376818
Product Description
Catalog Number:
AG000QCP
Chemical Name:
Ethanone, 2-chloro-1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-1(2H)-pyridinyl]-
CAS Number:
1201225-04-8
Molecular Formula:
C14H12Cl2F3NO
Molecular Weight:
338.1524
MDL Number:
MFCD22376818
IUPAC Name:
2-chloro-1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
InChI:
InChI=1S/C14H12Cl2F3NO/c15-8-13(21)20-5-3-9(4-6-20)10-1-2-12(16)11(7-10)14(17,18)19/h1-3,7H,4-6,8H2
InChI Key:
GCJMHMQBJDWHRH-UHFFFAOYSA-N
SMILES:
ClCC(=O)N1CCC(=CC1)c1ccc(c(c1)C(F)(F)F)Cl
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.025g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.151g/mol
Monoisotopic Mass:
337.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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