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1379343-70-0 | Ethanone, 2-bromo-1-[2-(trifluoromethyl)-4-pyridinyl]-
CAS No: 1379343-70-0 Catalog No: AG0017NM MDL No:MFCD11847721
Product Description
Catalog Number:
AG0017NM
Chemical Name:
Ethanone, 2-bromo-1-[2-(trifluoromethyl)-4-pyridinyl]-
CAS Number:
1379343-70-0
Molecular Formula:
C8H5BrF3NO
Molecular Weight:
268.0306
MDL Number:
MFCD11847721
IUPAC Name:
2-bromo-1-[2-(trifluoromethyl)pyridin-4-yl]ethanone
InChI:
InChI=1S/C8H5BrF3NO/c9-4-6(14)5-1-2-13-7(3-5)8(10,11)12/h1-3H,4H2
InChI Key:
QBFQEOKOEQGDTL-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccnc(c1)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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