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82129-70-2 | 2,4-Heptanedione, 1-[3-(trifluoromethyl)phenyl]-
CAS No: 82129-70-2 Catalog No: AG004W6D MDL No:
Product Description
Catalog Number:
AG004W6D
Chemical Name:
2,4-Heptanedione, 1-[3-(trifluoromethyl)phenyl]-
CAS Number:
82129-70-2
Molecular Formula:
C14H15F3O2
Molecular Weight:
272.2629
IUPAC Name:
1-[3-(trifluoromethyl)phenyl]heptane-2,4-dione
InChI:
InChI=1S/C14H15F3O2/c1-2-4-12(18)9-13(19)8-10-5-3-6-11(7-10)14(15,16)17/h3,5-7H,2,4,8-9H2,1H3
InChI Key:
FTCQOEIJKNZKQJ-UHFFFAOYSA-N
SMILES:
CCCC(=O)CC(=O)Cc1cccc(c1)C(F)(F)F
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.102g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.267g/mol
Monoisotopic Mass:
272.102g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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