AG007JW5

15191-69-2 | 4,4,4-Trifluoro-1-(2-methoxyphenyl)butane-1,3-dione

AG007JW5

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CAS Number	15191-69-2
Catalog Number	AG007JW5(AGN-PC-0KKU6N)
Chemical Name	4,4,4-Trifluoro-1-(2-methoxyphenyl)butane-1,3-dione
IUPAC Name	4,4,4-trifluoro-1-(2-methoxyphenyl)butane-1,3-dione
InChI	InChI=1S/C11H9F3O3/c1-17-9-5-3-2-4-7(9)8(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3
InChI Key	MEKQEULAECFIOH-UHFFFAOYSA-N
MDL Number	MFCD03419768
Molecular Formula	C11H9F3O3
Molecular Weight	246.1826
SMILES	COC1=CC=CC=C1C(=O)CC(=O)C(F)(F)F
Synonyms	4,4,4-trifluoro-1-(2-methoxyphenyl)butane-1,3-dione, 15191-69-2, 1,3-Butanedione, 4,4,4-trifluoro-1-(2-methoxyphenyl)-, 4,4,4-trifluoro-1-(2-methoxyphenyl)-1,3-butanedione, TOS-BB-0664, AC1MCK0H, 4,4,4-Trifluoro-1-(methoxyphenyl)-1,3-butanedione, SCHEMBL9072150, CTK0E8269, KS-00001UZY, DTXSID40377945, MEKQEULAECFIOH-UHFFFAOYSA-N, MFCD03419768, SBB020542, STK312726, AKOS000210993, ZINC100316399, MCULE-7113838256, BC4157729, DB-063923, ST45091839, EN300-228438, 2T-0855, SR-01000306872, SR-01000306872-1, 1-(2-Methoxyphenyl)-4,4,4-trifluoro-1,3-butanedione, 4,4,4-TRIFLUORO-1-(2-METHOXY-PHENYL)-BUTANE-1,3-DIONE, CID2771473, 15191-68-1,

Complexity	299
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	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

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