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Home > Bromides > 1379332-23-6
1379332-23-6 | Ethanone, 2-bromo-1-[6-(trifluoromethyl)-3-pyridinyl]-
CAS No: 1379332-23-6 Catalog No: AG001451 MDL No:
Product Description
Catalog Number:
AG001451
Chemical Name:
Ethanone, 2-bromo-1-[6-(trifluoromethyl)-3-pyridinyl]-
CAS Number:
1379332-23-6
Molecular Formula:
C8H5BrF3NO
Molecular Weight:
268.0306
IUPAC Name:
2-bromo-1-[6-(trifluoromethyl)pyridin-3-yl]ethanone
InChI:
InChI=1S/C8H5BrF3NO/c9-3-6(14)5-1-2-7(13-4-5)8(10,11)12/h1-2,4H,3H2
InChI Key:
OJEJYGUDWWJGKL-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(nc1)C(F)(F)F
Properties
Complexity:
219
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:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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