AG003UUR

53369-00-9 | (1E,4E)-1,5-Bis(4-fluorophenyl)penta-1,4-dien-3-one

AG003UUR

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CAS Number	53369-00-9
Catalog Number	AG003UUR(AGN-PC-0OBVBX)
Chemical Name	(1E,4E)-1,5-Bis(4-fluorophenyl)penta-1,4-dien-3-one
IUPAC Name	(1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one
InChI	InChI=1S/C17H12F2O/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12H/b11-5+,12-6+
InChI Key	BNHFGYIPXPENKA-YDWXAUTNSA-N
MDL Number	MFCD00298485
Molecular Formula	C17H12F2O
Molecular Weight	270.2734
SMILES	O=C(/C=C/C1=CC=C(F)C=C1)/C=C/C2=CC=C(F)C=C2
Synonyms	53369-00-9, (1E,4E)-1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one, CHEMBL476220, trans,trans-Bis(4-fluorobenzal)acetone, trans,trans-Bis(4-fluorobenzylidene)acetone, trans,trans-1,5-Bis(4-fluorophenyl)-1,4-pentadien-3-one, Bis(4-fluorostyryl) ketone, 1,5-bis(4-fluorophenyl)penta-1,4-dien-3-one, AC1LOR4R, SCHEMBL2126010, SCHEMBL2126013, HMS1416N15, ZINC1081487, BDBM50266759, MFCD00298485, AKOS001325278, trans,trans-Bis(4-fluorostyryl) Ketone, TC-120466, ST45113576, 1,5-BIS-(4-fluoro-phenyl)penta-1,4-dien-3-one, F0401-0086, 1,4-Pentadien-3-one, 1,5-bis(4-fluorophenyl)-, (E,E)-, TRANS,TRANS-BIS ACETONE, ZINC01081487, CID1268251, B2283,

Complexity	325
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Exact Mass	270.086g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	270.279g/mol
Monoisotopic Mass	270.086g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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