CAS
7206-70-4 Purity
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7206-70-4 Purity
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4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione
CAS
720-94-5
Catalog Number
ACM720945
Category
Other Products
Molecular Weight
230.186g/mol
Molecular Formula
C11H9F3O2;
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Specification
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;
Canonical SMILES
CC1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F;
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;
Application
A Celecoxib (Celebrex) intermediate
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
What is the molecular formula of 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione?
The molecular formula is C11H9F3O2.
What is the molecular weight of 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione?
The molecular weight is 230.18 g/mol.
What are some synonyms of 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione?
Some synonyms include 720-94-5, 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione, and l-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione.
When was 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione created?
It was created on March 27, 2005.
What is the IUPAC name of 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione?
The IUPAC name is 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione.
What is the InChI of 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione?
The InChI is InChI=1S/C11H9F3O2/c1-7-2-4-8(5-3-7)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3.
What is the InChIKey of 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione?
The InChIKey is WRZMHTIRFOFFPY-UHFFFAOYSA-N.
What is the Canonical SMILES of 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione?
The Canonical SMILES is CC1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F.
What is the CAS number of 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione?
The CAS number is 720-94-5.
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