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123637-51-4 | Quinoline, 6-(bromomethyl)-4-chloro-2-(trifluoromethyl)-
CAS No: 123637-51-4 Catalog No: AG000KWW MDL No:MFCD00153079
Product Description
Catalog Number:
AG000KWW
Chemical Name:
Quinoline, 6-(bromomethyl)-4-chloro-2-(trifluoromethyl)-
CAS Number:
123637-51-4
Molecular Formula:
C11H6BrClF3N
Molecular Weight:
324.5242
MDL Number:
MFCD00153079
IUPAC Name:
6-(bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline
InChI:
InChI=1S/C11H6BrClF3N/c12-5-6-1-2-9-7(3-6)8(13)4-10(17-9)11(14,15)16/h1-4H,5H2
InChI Key:
SJBKLFYWXYFAGT-UHFFFAOYSA-N
SMILES:
BrCc1ccc2c(c1)c(Cl)cc(n2)C(F)(F)F
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.932g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.525g/mol
Monoisotopic Mass:
322.932g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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