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Home > Fluorides > 919997-77-6

919997-77-6

919997-77-6 | 1,3-Butanedione, 1-(2-ethylphenyl)-4,4,4-trifluoro-

CAS No: 919997-77-6 Catalog No: AG006G6G MDL No:

Product Description

Catalog Number:
AG006G6G
Chemical Name:
1,3-Butanedione, 1-(2-ethylphenyl)-4,4,4-trifluoro-
CAS Number:
919997-77-6
Molecular Formula:
C12H11F3O2
Molecular Weight:
244.2097
IUPAC Name:
1-(2-ethylphenyl)-4,4,4-trifluorobutane-1,3-dione
InChI:
InChI=1S/C12H11F3O2/c1-2-8-5-3-4-6-9(8)10(16)7-11(17)12(13,14)15/h3-6H,2,7H2,1H3
InChI Key:
SDUNCWCFXLWLCP-UHFFFAOYSA-N
SMILES:
CCc1ccccc1C(=O)CC(=O)C(F)(F)F

Properties

Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.071g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.213g/mol
Monoisotopic Mass:
244.071g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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