AG00C74S

399-06-4 | 4,4,4-Trifluoro-1-(pyridine-4-yl)butane-1,3-dione

AG00C74S

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CAS Number	399-06-4
Catalog Number	AG00C74S(AGN-PC-0JOE0M)
Chemical Name	4,4,4-Trifluoro-1-(pyridine-4-yl)butane-1,3-dione
IUPAC Name	4,4,4-trifluoro-1-pyridin-4-ylbutane-1,3-dione
InChI	InChI=1S/C9H6F3NO2/c10-9(11,12)8(15)5-7(14)6-1-3-13-4-2-6/h1-4H,5H2
InChI Key	VVFWWIMDNOGGLM-UHFFFAOYSA-N
MDL Number	MFCD01566518
Molecular Formula	C9H6F3NO2
Molecular Weight	217.1446
NSC Number	42618
SMILES	O=C(C1=CC=NC=C1)CC(C(F)(F)F)=O
Synonyms	399-06-4, 4,4,4-Trifluoro-1-(pyridin-4-yl)butane-1,3-dione, 4,4,4-trifluoro-1-(pyridine-4-yl)butane-1,3-dione, 4,4,4-trifluoro-1-pyridin-4-ylbutane-1,3-dione, 1,3-Butanedione, 4,4,4-trifluoro-1-(4-pyridyl)-, 4-trifluoroacetoacetylpyridine, VVFWWIMDNOGGLM-UHFFFAOYSA-N, 4,4,4-trifluoro-1-(4-pyridyl)butane-1,3-dione, 4,4,4-Trifluoro-1-pyridin-4-yl-butane-1,3-dione, EN300-01274, 4,4,4-Trifluoro-1-(pyridine-4-yl)-1,3-butanedione, (2E)-4,4,4-Trifluoro-3-hydroxy-1-(4-pyridinyl)-2-buten-1-one, AldrichCPR, NSC42618, PubChem16696, AC1Q5FSS, AC1L60NZ, AC1Q4I46, SCHEMBL1924749, CTK4I2088, TOS-BB-0675, DTXSID40285677, ACM399064, BBL102648, NSC-42618, STL556452, AKOS000122299, ZINC100247499, BBV-000370, FS-5174, NE62167, 4-(4,4,4-Trifluoroacetoacetyl)pyridine, AN-44718, 399T064, 4,4,4-trifluoro-1-(4-pyridyl)-1,3-butanedione, A824801, 1-pyridin-4-yl-4,4,4-trifluoro-butane-1,3-dione, 1,3-Butanedione,4,4,4-trifluoro-1-(4-pyridinyl)-, 4,4,4-Trifluoro-1-(4-pyridinyl)-1,3-butanedione #, 4,4,4-Trifluoro-1-(4-pyridyl)butane-1,3-dione, 95%, Z234895350, 4,4,4-tris(fluoranyl)-1-pyridin-4-yl-butane-1,3-dione, KST-1B4819, AR-1B6739, CID238298, 52523-58-7,

Complexity	257
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.035g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	217.147g/mol
Monoisotopic Mass	217.035g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	47A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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