AG001VCW

1608-51-1 | 2-Propen-1-one, 3-(4-fluorophenyl)-1-phenyl-

AG001VCW

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CAS Number	1608-51-1
Catalog Number	AG001VCW(AGN-PC-0JM2WU)
Chemical Name	2-Propen-1-one, 3-(4-fluorophenyl)-1-phenyl-
IUPAC Name	(E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one
InChI	InChI=1S/C15H11FO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H/b11-8+
InChI Key	NYSCQZARWVHQBE-DHZHZOJOSA-N
MDL Number	MFCD00443467
Molecular Formula	C15H11FO
Molecular Weight	226.2456
NSC Number	88515
SMILES	O=C(C1=CC=CC=C1)/C=C/C2=CC=C(F)C=C2
Synonyms	4-Fluorochalcone, 1608-51-1, 2-Propen-1-one, 3-(4-fluorophenyl)-1-phenyl-, CCRIS 2224, (2E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one, NSC 88515, NYSCQZARWVHQBE-DHZHZOJOSA-N, (E)-3-(4-fluorophenyl)-1-phenyl-2-propen-1-one, (E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one, (E)-3-(4-fluorophenyl)-1-phenyl-prop-2-en-1-one, MFCD00443467, 2-(4-Fluorobenzal)acetophenone, 4-fluoro-chalcone, NSC88515, Chalcone, 4-fluoro-, 3-(4-fluorophenyl)-1-phenyl-2-propen-1-one, AC1NSOGU, 4-Fluoro-trans-chalcone, AC1Q4OCR, 4-FLUORO CHALCONE, p-Fluorostyryl phenyl ketone, SCHEMBL657887, 2-Propen-1-one, 3-(4-fluorophenyl)-1-phenyl- (9CI), CHEMBL2234233, ZINC3898853, NSC-88515, RSC004701, SBB096971, STL281772, 1-(4-fluorophenyl)-3-phenylpropenone, AKOS001334724, 3-(4-Fluoro-phenyl)-1-phenyl-propanone, AJ-47389, LS-188244, TR-006835, CS-0063143, ST45149273, A810197, SR-01000078645, SR-01000078645-1, (E)-3-(4'-Fluorophenyl)-1-phenylprop-2-en-1-one, (2E)-3-(4-Fluorophenyl)-1-phenyl-2-propen-1-one #, I14-106336, 3-(4-Fluorophenyl)-1-phenyl-2-propen-1-one, AldrichCPR, 22966-07-0, 3-(4-fluorophenyl)-1-phenylprop-2-en-1-one, C15-H11-F-O, AR-1E6939, CID5366988, 2-Propen-1-one,3-(4-fluorophenyl)-1-phenyl-, 16429-03-1,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	226.079g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.25g/mol
Monoisotopic Mass	226.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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