AG002I9C

18931-60-7 | 1,3-Butanedione, 1-(4-chlorophenyl)-4,4,4-trifluoro-

AG002I9C

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CAS Number	18931-60-7
Catalog Number	AG002I9C(AGN-PC-0KKVQ0)
Chemical Name	1,3-Butanedione, 1-(4-chlorophenyl)-4,4,4-trifluoro-
IUPAC Name	1-(4-chlorophenyl)-4,4,4-trifluorobutane-1,3-dione
InChI	InChI=1S/C10H6ClF3O2/c11-7-3-1-6(2-4-7)8(15)5-9(16)10(12,13)14/h1-4H,5H2
InChI Key	LJHFYVKVIIMXQM-UHFFFAOYSA-N
MDL Number	MFCD00511276
Molecular Formula	C10H6ClF3O2
Molecular Weight	250.6016
SMILES	O=C(C1=CC=C(Cl)C=C1)CC(C(F)(F)F)=O
Synonyms	18931-60-7, 1-(4-chlorophenyl)-4,4,4-trifluorobutane-1,3-dione, 1-(4-Chlorophenyl)-4,4,4-trifluoro-1,3-butanedione, 1-(4-chlorophenyl)-4,4,4-trifluoro-butane-1,3-dione, 1,3-Butanedione, 1-(4-chlorophenyl)-4,4,4-trifluoro-, TOS-BB-0671, AC1MCNIY, ACMC-1BP06, chlorophenyltrifluorobutanedione, SCHEMBL584065, CTK0I3200, DTXSID80378734, LJHFYVKVIIMXQM-UHFFFAOYSA-N, ALBB-006415, KS-00001VO2, MFCD00511276, SBB029908, STK301807, AKOS000210598, ZINC100042757, 3N-590S, CS-W012637, MCULE-4099823094, RP14278, TRA0020065, 4'-Chloro-2-(trifluoroacetyl)acetophenone, DB-017319, TR-008774, FT-0679214, ST45054922, 3-(4-chlorobenzoyl)-1,1,1-trifluoroacetone, Y-8999, 931C607, A813315, J-503282, 4-(4-chlorophenyl)-1,1,1-trifluoro-2,4-butanedione, I14-28472, 1-(4-chloro-phenyl)-4,4,4-trifluoro-butane-1,3-dione, 4,4,4-trifluoro-1-[4(chloro)phenyl]-butane-1,3-dione, 1-(4-chlorophenyl)-4,4,4-tris(fluoranyl)butane-1,3-dione, 4,4,4-trifluoro-1-[4-(chloro)phenyl]-butane-1,3-dione, 4,4,4-trifluoro-1-[4-(chloro)phenyl]-butane-1.3-dione, 4.4.4-trifluoro-1-[4-(chloro)phenyl]-butane-1,3-dione, 1-(4-Chlorophenyl)-4,4,4-trifluoro-1,3-butanedione, 97%, CID2773832, C3139, 1-(4-Chlorophenyl)-4,4,4-trifluorobutane-1,3-dione 100g,

Complexity	280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	250.001g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.601g/mol
Monoisotopic Mass	250.001g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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