AG008FNU

86571-25-7 | 1,1,1-Trifluoro-4-phenylbut-3-en-2-one

AG008FNU

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CAS Number	86571-25-7
Catalog Number	AG008FNU(AGN-PC-0OKH7Q)
Chemical Name	1,1,1-Trifluoro-4-phenylbut-3-en-2-one
IUPAC Name	(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-one
InChI	InChI=1S/C10H7F3O/c11-10(12,13)9(14)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChI Key	ADEYYFREIBSWFP-VOTSOKGWSA-N
MDL Number	MFCD00192532
Molecular Formula	C10H7F3O
Molecular Weight	200.1572
SMILES	O=C(C(F)(F)F)C=CC1=CC=CC=C1
Synonyms	1,1,1-trifluoro-4-phenylbut-3-en-2-one, 86571-25-7, (E)-1,1,1-trifluoro-4-phenylbut-3-en-2-one, J-503701, Trifluoromethylstyryl ketone, AC1O07IM, CHEMBL75566, SCHEMBL2396441, ADEYYFREIBSWFP-VOTSOKGWSA-N, MIX-0848, ZINC2557087, ZX-BK002481, MFCD00192532, [(E)-Styryl](trifluoromethyl) ketone, AKOS005144544, DS-6878, FCH1321618, FCH3737036, RL05358, AJ-40038, AX8252296, H8387, (E)-1,1,1-trifluoro-4-phenyl-3-butene-2-one, trans-1,1,1-trifluoro-4-phenyl-3-buten-2-one, CID6006052, 1,1,1-trifluoro-4-phenyl-but-3-en-2-one,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	200.045g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.16g/mol
Monoisotopic Mass	200.045g/mol
Rotatable Bond Count	2
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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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