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1245915-41-6 | Ethanone, 1-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-
CAS No: 1245915-41-6 Catalog No: AG000MFT MDL No:
Product Description
Catalog Number:
AG000MFT
Chemical Name:
Ethanone, 1-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-
CAS Number:
1245915-41-6
Molecular Formula:
C8H5ClF3NO
Molecular Weight:
223.5796
IUPAC Name:
1-[6-chloro-5-(trifluoromethyl)pyridin-3-yl]ethanone
InChI:
InChI=1S/C8H5ClF3NO/c1-4(14)5-2-6(8(10,11)12)7(9)13-3-5/h2-3H,1H3
InChI Key:
XBLKIKPWBCEGEA-UHFFFAOYSA-N
SMILES:
CC(=O)c1cnc(c(c1)C(F)(F)F)Cl
Properties
Complexity:
231
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:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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