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620959-62-8 | 4'-Phenoxy-2,2,3,3,3-pentafluoropropiophenone
CAS No: 620959-62-8 Catalog No: AG01EWO8 MDL No:
Product Description
Catalog Number:
AG01EWO8
Chemical Name:
4'-Phenoxy-2,2,3,3,3-pentafluoropropiophenone
CAS Number:
620959-62-8
Molecular Formula:
C15H9F5O2
Molecular Weight:
316.2228
IUPAC Name:
2,2,3,3,3-pentafluoro-1-(4-phenoxyphenyl)propan-1-one
InChI:
InChI=1S/C15H9F5O2/c16-14(17,15(18,19)20)13(21)10-6-8-12(9-7-10)22-11-4-2-1-3-5-11/h1-9H
InChI Key:
ZRAOFRWZOGXSLS-UHFFFAOYSA-N
SMILES:
O=C(C(C(F)(F)F)(F)F)c1ccc(cc1)Oc1ccccc1
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.052g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.227g/mol
Monoisotopic Mass:
316.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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