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Home > Fluorides > 129781-11-9
129781-11-9 | 2-Pentanone, 1,1,1-trifluoro-5-(phenylmethoxy)-
CAS No: 129781-11-9 Catalog No: AG000TOA MDL No:
Product Description
Catalog Number:
AG000TOA
Chemical Name:
2-Pentanone, 1,1,1-trifluoro-5-(phenylmethoxy)-
CAS Number:
129781-11-9
Molecular Formula:
C12H13F3O2
Molecular Weight:
246.2256
IUPAC Name:
1,1,1-trifluoro-5-phenylmethoxypentan-2-one
InChI:
InChI=1S/C12H13F3O2/c13-12(14,15)11(16)7-4-8-17-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChI Key:
PKYLRTIGQJNNBG-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)CCCOCc1ccccc1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.229g/mol
Monoisotopic Mass:
246.087g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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