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Home > Fluorides > 129246-73-7
129246-73-7 | 3,5-Cyclohexadiene-1,2-dione, 3,6-bis(1,1-dimethylethyl)-4-fluoro-
CAS No: 129246-73-7 Catalog No: AG000Z15 MDL No:
Product Description
Catalog Number:
AG000Z15
Chemical Name:
3,5-Cyclohexadiene-1,2-dione, 3,6-bis(1,1-dimethylethyl)-4-fluoro-
CAS Number:
129246-73-7
Molecular Formula:
C14H19FO2
Molecular Weight:
238.2979
IUPAC Name:
3,6-ditert-butyl-4-fluorocyclohexa-3,5-diene-1,2-dione
InChI:
InChI=1S/C14H19FO2/c1-13(2,3)8-7-9(15)10(14(4,5)6)12(17)11(8)16/h7H,1-6H3
InChI Key:
BFDCERNWVXUZOW-UHFFFAOYSA-N
SMILES:
O=C1C(=O)C(=C(C=C1C(C)(C)C)F)C(C)(C)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.302g/mol
Monoisotopic Mass:
238.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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