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Home > Bromides > 1260664-97-8
1260664-97-8 | Ethanone, 1-[5-bromo-2-(trifluoromethyl)-3-pyridinyl]-
CAS No: 1260664-97-8 Catalog No: AG000R0L MDL No:
Product Description
Catalog Number:
AG000R0L
Chemical Name:
Ethanone, 1-[5-bromo-2-(trifluoromethyl)-3-pyridinyl]-
CAS Number:
1260664-97-8
Molecular Formula:
C8H5BrF3NO
Molecular Weight:
268.0306
IUPAC Name:
1-[5-bromo-2-(trifluoromethyl)pyridin-3-yl]ethanone
InChI:
InChI=1S/C8H5BrF3NO/c1-4(14)6-2-5(9)3-13-7(6)8(10,11)12/h2-3H,1H3
InChI Key:
LJIMXIWOZUHRLI-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(Br)cnc1C(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:
266.951g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.033g/mol
Monoisotopic Mass:
266.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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