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88176-51-6 | 1,3-Cyclohexanedione, 5-(6-fluoro-2,3,4-trimethylphenyl)-
CAS No: 88176-51-6 Catalog No: AG004CFM MDL No:
Product Description
Catalog Number:
AG004CFM
Chemical Name:
1,3-Cyclohexanedione, 5-(6-fluoro-2,3,4-trimethylphenyl)-
CAS Number:
88176-51-6
Molecular Formula:
C15H17FO2
Molecular Weight:
248.2927
IUPAC Name:
5-(6-fluoro-2,3,4-trimethylphenyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C15H17FO2/c1-8-4-14(16)15(10(3)9(8)2)11-5-12(17)7-13(18)6-11/h4,11H,5-7H2,1-3H3
InChI Key:
LCMMVWOHEMDWPS-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)CC(C1)c1c(F)cc(c(c1C)C)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.297g/mol
Monoisotopic Mass:
248.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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