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1443352-89-3

1443352-89-3 | 4'-n-Butoxy-3'-fluoro-2,2,2-trifluoroacetophenone

CAS No: 1443352-89-3 Catalog No: AG01F9CE MDL No:

Product Description

Catalog Number:
AG01F9CE
Chemical Name:
4'-n-Butoxy-3'-fluoro-2,2,2-trifluoroacetophenone
CAS Number:
1443352-89-3
Molecular Formula:
C12H12F4O2
Molecular Weight:
264.2161
IUPAC Name:
1-(4-butoxy-3-fluorophenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C12H12F4O2/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:
SREZUEXCBSUSDY-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1F)C(=O)C(F)(F)F

Properties

Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.077g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.22g/mol
Monoisotopic Mass:
264.077g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

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