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1443334-91-5

1443334-91-5 | 2'-n-Butoxy-2,2,2,3',5'-pentafluoroacetophenone

CAS No: 1443334-91-5 Catalog No: AG01F9VT MDL No:

Product Description

Catalog Number:
AG01F9VT
Chemical Name:
2'-n-Butoxy-2,2,2,3',5'-pentafluoroacetophenone
CAS Number:
1443334-91-5
Molecular Formula:
C12H11F5O2
Molecular Weight:
282.2066
IUPAC Name:
1-(2-butoxy-3,5-difluorophenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C12H11F5O2/c1-2-3-4-19-10-8(11(18)12(15,16)17)5-7(13)6-9(10)14/h5-6H,2-4H2,1H3
InChI Key:
BWJJQYGJULICFM-UHFFFAOYSA-N
SMILES:
CCCCOc1c(F)cc(cc1C(=O)C(F)(F)F)F

Properties

Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.068g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.21g/mol
Monoisotopic Mass:
282.068g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

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