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1239462-41-9 | Quinoline, 5-bromo-3-(trifluoromethyl)-
CAS No: 1239462-41-9 Catalog No: AG000L95 MDL No:
Product Description
Catalog Number:
AG000L95
Chemical Name:
Quinoline, 5-bromo-3-(trifluoromethyl)-
CAS Number:
1239462-41-9
Molecular Formula:
C10H5BrF3N
Molecular Weight:
276.0526
IUPAC Name:
5-bromo-3-(trifluoromethyl)quinoline
InChI:
InChI=1S/C10H5BrF3N/c11-8-2-1-3-9-7(8)4-6(5-15-9)10(12,13)14/h1-5H
InChI Key:
VNSFCVOSRMUVIX-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1cc(cn2)C(F)(F)F
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.956g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.056g/mol
Monoisotopic Mass:
274.956g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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