AG003KCS

582-65-0 | 4,4,4-Trifluoro-1-(4-fluorophenyl)butane-1,3-dione

AG003KCS

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CAS Number	582-65-0
Catalog Number	AG003KCS(AGN-PC-0KKU6Q)
Chemical Name	4,4,4-Trifluoro-1-(4-fluorophenyl)butane-1,3-dione
IUPAC Name	4,4,4-trifluoro-1-(4-fluorophenyl)butane-1,3-dione
InChI	InChI=1S/C10H6F4O2/c11-7-3-1-6(2-4-7)8(15)5-9(16)10(12,13)14/h1-4H,5H2
InChI Key	KEZLARPKXOHKJS-UHFFFAOYSA-N
MDL Number	MFCD03419766
Molecular Formula	C10H6F4O2
Molecular Weight	234.1471
SMILES	O=C(C1=CC=C(F)C=C1)CC(C(F)(F)F)=O
Synonyms	582-65-0, 4,4,4-trifluoro-1-(4-fluorophenyl)butane-1,3-dione, 3-(4-fluorobenzoyl)-1,1,1-trifluoroacetone, 4,4,4-trifluoro-1-(4-fluorophenyl)-1,3-butanedione, MFCD03419766, 1,3-Butanedione, 4,4,4-trifluoro-1-(4-fluorophenyl)-, 4,4,4-Trifluoro-1-(4-fluoro-phenyl)-butane-1,3-dione, 1-(4'-fluorophenyl)-4,4,4-trifluoro-1,3-butanedione, TOS-BB-0670, AC1MCK0N, SCHEMBL711849, CTK5A8090, KS-00001UZV, DTXSID60377947, KEZLARPKXOHKJS-UHFFFAOYSA-N, ALBB-006419, 6040AE, BBL010145, SBB020538, STK298731, AKOS000210695, ZINC100013982, MCULE-9319194657, TRA0028263, TR-020262, FT-0679215, ST45091560, A-9323, 2T-0837, 3-(4-Fluorobenzoyl)-1,1,1-trifluoroacetone, 97%, 1-(4-Fluorophenyl)-4,4,4-trifluoro-1,3-butanedione, I14-29371, 1-(4-fluoro-phenyl)-4,4,4-trifluoro-butane-1,3-dione, 4,4,4-trifluoro-1-[4-(fluoro)phenyl]-butane-1,3-dione, C10H6F4O2, CID2771476, 4,4,4-TRIFLUORO-1- BUTANE-1,3-DIONE,

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.03g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	234.15g/mol
Monoisotopic Mass	234.03g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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