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Home > Fluorides > 1443328-08-2
1443328-08-2 | 3-(3,4,5-Trifluorophenyl)-3-pentanol
CAS No: 1443328-08-2 Catalog No: AG01FDKP MDL No:
Product Description
Catalog Number:
AG01FDKP
Chemical Name:
3-(3,4,5-Trifluorophenyl)-3-pentanol
CAS Number:
1443328-08-2
Molecular Formula:
C11H13F3O
Molecular Weight:
218.2155
IUPAC Name:
3-(3,4,5-trifluorophenyl)pentan-3-ol
InChI:
InChI=1S/C11H13F3O/c1-3-11(15,4-2)7-5-8(12)10(14)9(13)6-7/h5-6,15H,3-4H2,1-2H3
InChI Key:
KGHCQZMYCIHZEN-UHFFFAOYSA-N
SMILES:
CCC(c1cc(F)c(c(c1)F)F)(CC)O
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.219g/mol
Monoisotopic Mass:
218.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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