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1443340-10-0 | 3'-Chloro-6'-ethoxy-2,2,2-trifluoroacetophenone
CAS No: 1443340-10-0 Catalog No: AG01F9VV MDL No:
Product Description
Catalog Number:
AG01F9VV
Chemical Name:
3'-Chloro-6'-ethoxy-2,2,2-trifluoroacetophenone
CAS Number:
1443340-10-0
Molecular Formula:
C10H8ClF3O2
Molecular Weight:
252.6175
IUPAC Name:
1-(5-chloro-2-ethoxyphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C10H8ClF3O2/c1-2-16-8-4-3-6(11)5-7(8)9(15)10(12,13)14/h3-5H,2H2,1H3
InChI Key:
NHLSYJKLUNAMLQ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1C(=O)C(F)(F)F)Cl
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.016g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.617g/mol
Monoisotopic Mass:
252.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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