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1260763-79-8 | Ethanone, 2-chloro-1-[5-(trifluoromethyl)-2-pyridinyl]-
CAS No: 1260763-79-8 Catalog No: AG000R60 MDL No:MFCD11847353
Product Description
Catalog Number:
AG000R60
Chemical Name:
Ethanone, 2-chloro-1-[5-(trifluoromethyl)-2-pyridinyl]-
CAS Number:
1260763-79-8
Molecular Formula:
C8H5ClF3NO
Molecular Weight:
223.5796
MDL Number:
MFCD11847353
IUPAC Name:
2-chloro-1-[5-(trifluoromethyl)pyridin-2-yl]ethanone
InChI:
InChI=1S/C8H5ClF3NO/c9-3-7(14)6-2-1-5(4-13-6)8(10,11)12/h1-2,4H,3H2
InChI Key:
RVPRYFUMJFTNFS-UHFFFAOYSA-N
SMILES:
ClCC(=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:
223.001g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.579g/mol
Monoisotopic Mass:
223.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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