AG002Z38

29681-98-9 | 1,3-Butanedione, 1-(4-fluorophenyl)-

AG002Z38

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CAS Number	29681-98-9
Catalog Number	AG002Z38(AGN-PC-0JR6S8)
Chemical Name	1,3-Butanedione, 1-(4-fluorophenyl)-
IUPAC Name	1-(4-fluorophenyl)butane-1,3-dione
InChI	InChI=1S/C10H9FO2/c1-7(12)6-10(13)8-2-4-9(11)5-3-8/h2-5H,6H2,1H3
InChI Key	GEFZIAWNHFKQDM-UHFFFAOYSA-N
MDL Number	MFCD00463139
Molecular Formula	C10H9FO2
Molecular Weight	180.1757
SMILES	CC(CC(C1=CC=C(F)C=C1)=O)=O
Synonyms	1-(4-fluorophenyl)butane-1,3-dione, 29681-98-9, 1-(4-Fluoro-phenyl)-butane-1,3-dione, 1-(4-fluorophenyl)-1,3-butanedione, 1,3-Butanedione,1-(4-fluorophenyl)-, p-fluorobenzoylacetone, 4-fluorobenzoylacetone, AC1L8TWC, (4-Fluorobenzoyl)acetone, AC1Q1K1T, 1-(4-fluorobenzoyl)acetone, SCHEMBL120769, CTK4G3656, DTXSID40330792, GEFZIAWNHFKQDM-UHFFFAOYSA-N, KS-000017PG, MFCD00463139, STL308132, AKOS008966971, ZINC100007650, ACN-049095, MCULE-6529086439, NE36715, 1,3-Butanedione, 1-(4-fluorophenyl)-, CS-0060858, F0996, 1-(4-FLUOROPHENYL)-1,3-DIOXOBUTANE, EN300-05808, Z56911911, CID432655,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.059g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	180.178g/mol
Monoisotopic Mass	180.059g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number