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Home > Fluorides > 114433-94-2
114433-94-2 | 1,3-Pentanedione, 1-(4-fluorophenyl)-4-methyl-
CAS No: 114433-94-2 Catalog No: AG000BBU MDL No:MFCD11520125
Product Description
Catalog Number:
AG000BBU
Chemical Name:
1,3-Pentanedione, 1-(4-fluorophenyl)-4-methyl-
CAS Number:
114433-94-2
Molecular Formula:
C12H13FO2
Molecular Weight:
208.2288
MDL Number:
MFCD11520125
IUPAC Name:
1-(4-fluorophenyl)-4-methylpentane-1,3-dione
InChI:
InChI=1S/C12H13FO2/c1-8(2)11(14)7-12(15)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3
InChI Key:
LAOUURGVXFCRDD-UHFFFAOYSA-N
SMILES:
CC(C(=O)CC(=O)c1ccc(cc1)F)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.232g/mol
Monoisotopic Mass:
208.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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