AG007YQZ

15191-68-1 | 4,4,4-Trifluoro-1-(4-methoxyphenyl)butane-1,3-dione

AG007YQZ

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CAS Number	15191-68-1
Catalog Number	AG007YQZ(AGN-PC-0JMR02)
Chemical Name	4,4,4-Trifluoro-1-(4-methoxyphenyl)butane-1,3-dione
IUPAC Name	4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione
InChI	InChI=1S/C11H9F3O3/c1-17-8-4-2-7(3-5-8)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3
InChI Key	NNEIYSHJFCLFES-UHFFFAOYSA-N
MDL Number	MFCD03238723
Molecular Formula	C11H9F3O3
Molecular Weight	246.1826
SMILES	COC1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F
Synonyms	4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione, 15191-68-1, 4,4,4-Trifluoro-1-(4-methoxyphenyl)-1,3-butanedione, 2,4-Butanedione, 1,1,1-trifluoro-4-(4-methoxyphenyl)-, (4-Methoxybenzoyl)-1,1,1-trifluoroacetone, 1,3-Butanedione,4,4,4-trifluoro-1-(4-methoxyphenyl)-, TOS-BB-0662, AC1L3FTY, AC1Q49OS, SCHEMBL709889, p-methoxybenzoyltrifluoroacetone, CTK4C7256, DTXSID30164902, NNEIYSHJFCLFES-UHFFFAOYSA-N, ALBB-006418, KS-000034YI, BBL008914, MFCD03238723, SBB029909, STK298670, AKOS000210596, ZINC100034341, MCULE-5747339381, RP06013, AB0040049, TR-006249, CS-0063893, FT-0616965, ST24042523, ST45054917, Y7603, 1-(p-Methoxybenzoyl)-3,3,3-trifluoroacetone, EN300-22301, W-7641, 2T-0839, A809239, SR-01000245139, SR-01000245139-1, W-205723, I14-29372, 4-(4-methoxyphenyl)-1,1,1-trifluoro-2,4-butanedione, Z992717072, 1,3-Butanedione, 4,4,4-trifluoro-1-(4-methoxyphenyl)-, 1-(4-methoxy-phenyl)-4,4,4-trifluoro-butane-1,3-dione, 4,4,4-trifluoro-1-(4-methoxy-phenyl)-butane-1,3-dione, 4,4,4-tris(fluoranyl)-1-(4-methoxyphenyl)butane-1,3-dione, C11H9F3O3, CID139903, T3283, TA7,

Complexity	291
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	246.05g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	246.185g/mol
Monoisotopic Mass	246.05g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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