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1443311-73-6 | 4'-n-Butoxy-3'-chloro-2,2,2-trifluoroacetophenone
CAS No: 1443311-73-6 Catalog No: AG01F9B6 MDL No:
Product Description
Catalog Number:
AG01F9B6
Chemical Name:
4'-n-Butoxy-3'-chloro-2,2,2-trifluoroacetophenone
CAS Number:
1443311-73-6
Molecular Formula:
C12H12ClF3O2
Molecular Weight:
280.6707
IUPAC Name:
1-(4-butoxy-3-chlorophenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C12H12ClF3O2/c1-2-3-6-18-10-5-4-8(7-9(10)13)11(17)12(14,15)16/h4-5,7H,2-3,6H2,1H3
InChI Key:
BONONKGNOKHAIR-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1Cl)C(=O)C(F)(F)F
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.048g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.671g/mol
Monoisotopic Mass:
280.048g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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