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1417517-71-5 | 4'-Chloro-3'-ethyl-2,2,2-trifluoroacetophenone
CAS No: 1417517-71-5 Catalog No: AG01FA3H MDL No:
Product Description
Catalog Number:
AG01FA3H
Chemical Name:
4'-Chloro-3'-ethyl-2,2,2-trifluoroacetophenone
CAS Number:
1417517-71-5
Molecular Formula:
C10H8ClF3O
Molecular Weight:
236.6181
IUPAC Name:
1-(4-chloro-3-ethylphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C10H8ClF3O/c1-2-6-5-7(3-4-8(6)11)9(15)10(12,13)14/h3-5H,2H2,1H3
InChI Key:
VNWSWBISKJJDGY-UHFFFAOYSA-N
SMILES:
CCc1cc(ccc1Cl)C(=O)C(F)(F)F
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.022g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.618g/mol
Monoisotopic Mass:
236.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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