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919994-45-9 | Quinoline, 6-chloro-3-methyl-5-(2,2,2-trichloroethyl)-
CAS No: 919994-45-9 Catalog No: AG006GBS MDL No:
Product Description
Catalog Number:
AG006GBS
Chemical Name:
Quinoline, 6-chloro-3-methyl-5-(2,2,2-trichloroethyl)-
CAS Number:
919994-45-9
Molecular Formula:
C12H9Cl4N
Molecular Weight:
309.0186
IUPAC Name:
6-chloro-3-methyl-5-(2,2,2-trichloroethyl)quinoline
InChI:
InChI=1S/C12H9Cl4N/c1-7-4-8-9(5-12(14,15)16)10(13)2-3-11(8)17-6-7/h2-4,6H,5H2,1H3
InChI Key:
NGNRHXUALKUYLK-UHFFFAOYSA-N
SMILES:
Cc1cnc2c(c1)c(CC(Cl)(Cl)Cl)c(cc2)Cl
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.946g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.011g/mol
Monoisotopic Mass:
306.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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