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231296-40-5 | Ethanone, 2-bromo-1-[5-(trifluoromethyl)-2-pyridinyl]-
CAS No: 231296-40-5 Catalog No: AG002M9O MDL No:MFCD11847718
Product Description
Catalog Number:
AG002M9O
Chemical Name:
Ethanone, 2-bromo-1-[5-(trifluoromethyl)-2-pyridinyl]-
CAS Number:
231296-40-5
Molecular Formula:
C8H5BrF3NO
Molecular Weight:
268.0306
MDL Number:
MFCD11847718
IUPAC Name:
2-bromo-1-[5-(trifluoromethyl)pyridin-2-yl]ethanone
InChI:
InChI=1S/C8H5BrF3NO/c9-3-7(14)6-2-1-5(4-13-6)8(10,11)12/h1-2,4H,3H2
InChI Key:
HOUQSRLDJIVIOG-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(cn1)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:
2.5
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