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Home > Fluorides > 1443320-94-2
1443320-94-2 | 2,3,4,5,6-Pentafluorophenyl cycloheptyl ketone
CAS No: 1443320-94-2 Catalog No: AG01FA45 MDL No:
Product Description
Catalog Number:
AG01FA45
Chemical Name:
2,3,4,5,6-Pentafluorophenyl cycloheptyl ketone
CAS Number:
1443320-94-2
Molecular Formula:
C14H13F5O
Molecular Weight:
292.2444
IUPAC Name:
cycloheptyl-(2,3,4,5,6-pentafluorophenyl)methanone
InChI:
InChI=1S/C14H13F5O/c15-9-8(10(16)12(18)13(19)11(9)17)14(20)7-5-3-1-2-4-6-7/h7H,1-6H2
InChI Key:
OPXMRIXRWVYUNS-UHFFFAOYSA-N
SMILES:
O=C(c1c(F)c(F)c(c(c1F)F)F)C1CCCCCC1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.089g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.249g/mol
Monoisotopic Mass:
292.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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