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Home > Fluorides > 884504-24-9
884504-24-9 | 2',3'-DIFLUORO-3-(1,3-DIOXAN-2-YL)PROPIOPHENONE
CAS No: 884504-24-9 Catalog No: AG004JJ8 MDL No:
Product Description
Catalog Number:
AG004JJ8
Chemical Name:
2',3'-DIFLUORO-3-(1,3-DIOXAN-2-YL)PROPIOPHENONE
CAS Number:
884504-24-9
Molecular Formula:
C13H14F2O3
Molecular Weight:
256.2453
IUPAC Name:
1-(2,3-difluorophenyl)-3-(1,3-dioxan-2-yl)propan-1-one
InChI:
InChI=1S/C13H14F2O3/c14-10-4-1-3-9(13(10)15)11(16)5-6-12-17-7-2-8-18-12/h1,3-4,12H,2,5-8H2
InChI Key:
DSMIANQLEJVFFK-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1F)F)CCC1OCCCO1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.249g/mol
Monoisotopic Mass:
256.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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