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Home > Fluorides > 849798-42-1
849798-42-1 | 1-Hexen-3-one, 4,4,5,5,6,6,6-heptafluoro-1-hydroxy-1-(2-naphthalenyl)-
CAS No: 849798-42-1 Catalog No: AG004QJJ MDL No:
Product Description
Catalog Number:
AG004QJJ
Chemical Name:
1-Hexen-3-one, 4,4,5,5,6,6,6-heptafluoro-1-hydroxy-1-(2-naphthalenyl)-
CAS Number:
849798-42-1
Molecular Formula:
C16H9F7O2
Molecular Weight:
366.2303
IUPAC Name:
4,4,5,5,6,6,6-heptafluoro-1-hydroxy-1-naphthalen-2-ylhex-1-en-3-one
InChI:
InChI=1S/C16H9F7O2/c17-14(18,15(19,20)16(21,22)23)13(25)8-12(24)11-6-5-9-3-1-2-4-10(9)7-11/h1-8,24H
InChI Key:
BBBYRIMEUUKNNZ-UHFFFAOYSA-N
SMILES:
O=C(C(C(C(F)(F)F)(F)F)(F)F)C=C(c1ccc2c(c1)cccc2)O
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.049g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.235g/mol
Monoisotopic Mass:
366.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.7
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