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4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione

Catalog Number
ACM720945
Product Name
4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione
Structure
4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione
CAS
720-94-5
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Synonyms
4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione; SC-17246; l-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione; KS-00000JNM; MFCD00517909 (97%); 1-(4-Methylphenyl)-4,4,4-trifluorobutane - 1,3- dione; 4,4,4-trifluoro-1-(p-tolyl)butane-1,3-dione; SY038487; ACT04868; ANW-73998;
IUPAC Name
4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione;
Molecular Weight
230.186g/mol
Molecular Formula
C11H9F3O2;
InChI
InChI=1S/C11H9F3O2/c1-7-2-4-8(5-3-7)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3;
InChI Key
WRZMHTIRFOFFPY-UHFFFAOYSA-N;
Storage
-20°C Freezer
Complexity
275
Covalently-Bonded Unit Count
1
EC Number
615-712-2
Exact Mass
230.055g/mol
H-Bond Acceptor
5
Heavy Atom Count
16
Monoisotopic Mass
230.055g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
34.1A^2
Application
A Celecoxib (Celebrex) intermediate
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