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828939-03-3 | Quinoline, 3-chloro-1,2,3,4-tetrahydro-2,2,6-trimethyl-1-(trifluoroacetyl)-
CAS No: 828939-03-3 Catalog No: AG004VDN MDL No:
Product Description
Catalog Number:
AG004VDN
Chemical Name:
Quinoline, 3-chloro-1,2,3,4-tetrahydro-2,2,6-trimethyl-1-(trifluoroacetyl)-
CAS Number:
828939-03-3
Molecular Formula:
C14H15ClF3NO
Molecular Weight:
305.7232
IUPAC Name:
1-(3-chloro-2,2,6-trimethyl-3,4-dihydroquinolin-1-yl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C14H15ClF3NO/c1-8-4-5-10-9(6-8)7-11(15)13(2,3)19(10)12(20)14(16,17)18/h4-6,11H,7H2,1-3H3
InChI Key:
XIWIPBSFBNCWLF-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)CC(C(N2C(=O)C(F)(F)F)(C)C)Cl
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.079g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.725g/mol
Monoisotopic Mass:
305.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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