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Home > Fluorides > 147622-83-1
147622-83-1 | 1,4-Dioxaspiro[4.5]decane, 8-[4-(3,4-difluorophenyl)-3-cyclohexen-1-yl]-
CAS No: 147622-83-1 Catalog No: AG001F1U MDL No:
Product Description
Catalog Number:
AG001F1U
Chemical Name:
1,4-Dioxaspiro[4.5]decane, 8-[4-(3,4-difluorophenyl)-3-cyclohexen-1-yl]-
CAS Number:
147622-83-1
Molecular Formula:
C20H24F2O2
Molecular Weight:
334.4002
IUPAC Name:
8-[4-(3,4-difluorophenyl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane
InChI:
InChI=1S/C20H24F2O2/c21-18-6-5-17(13-19(18)22)15-3-1-14(2-4-15)16-7-9-20(10-8-16)23-11-12-24-20/h3,5-6,13-14,16H,1-2,4,7-12H2
InChI Key:
JLKCPVGXOVJEGN-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1F)C1=CCC(CC1)C1CCC2(CC1)OCCO2
EC Number:
604-591-1
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.174g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.407g/mol
Monoisotopic Mass:
334.174g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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