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Home > Fluorides > 1443321-14-9
1443321-14-9 | 2,4,5-Trifluorophenyl cyclopentyl ketone
CAS No: 1443321-14-9 Catalog No: AG01FC1G MDL No:
Product Description
Catalog Number:
AG01FC1G
Chemical Name:
2,4,5-Trifluorophenyl cyclopentyl ketone
CAS Number:
1443321-14-9
Molecular Formula:
C12H11F3O
Molecular Weight:
228.2103
IUPAC Name:
cyclopentyl-(2,4,5-trifluorophenyl)methanone
InChI:
InChI=1S/C12H11F3O/c13-9-6-11(15)10(14)5-8(9)12(16)7-3-1-2-4-7/h5-7H,1-4H2
InChI Key:
NHUFHJWJWHDQOB-UHFFFAOYSA-N
SMILES:
O=C(c1cc(F)c(cc1F)F)C1CCCC1
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.076g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.214g/mol
Monoisotopic Mass:
228.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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