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Home > Fluorides > 145947-94-0
145947-94-0 | Ethanone, 1-[4-(trifluoromethyl)-2-pyridinyl]-
CAS No: 145947-94-0 Catalog No: AG001DIZ MDL No:
Product Description
Catalog Number:
AG001DIZ
Chemical Name:
Ethanone, 1-[4-(trifluoromethyl)-2-pyridinyl]-
CAS Number:
145947-94-0
Molecular Formula:
C8H6F3NO
Molecular Weight:
189.1345
IUPAC Name:
1-[4-(trifluoromethyl)pyridin-2-yl]ethanone
InChI:
InChI=1S/C8H6F3NO/c1-5(13)7-4-6(2-3-12-7)8(9,10)11/h2-4H,1H3
InChI Key:
PCXNGQCPUYARKI-UHFFFAOYSA-N
SMILES:
CC(=O)c1nccc(c1)C(F)(F)F
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.137g/mol
Monoisotopic Mass:
189.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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