AG003NFY

578-84-7 | 7-Methoxy-2-(trifluoromethyl)-4H-chromen-4-one

AG003NFY

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CAS Number	578-84-7
Catalog Number	AG003NFY(AGN-PC-0JXCK6)
Chemical Name	7-Methoxy-2-(trifluoromethyl)-4H-chromen-4-one
IUPAC Name	7-methoxy-2-(trifluoromethyl)chromen-4-one
InChI	InChI=1S/C11H7F3O3/c1-16-6-2-3-7-8(15)5-10(11(12,13)14)17-9(7)4-6/h2-5H,1H3
InChI Key	KJVYPPZKUJGINW-UHFFFAOYSA-N
MDL Number	MFCD00760804
Molecular Formula	C11H7F3O3
Molecular Weight	244.1667
SMILES	O=C1C=C(C(F)(F)F)OC2=C1C=CC(OC)=C2
Synonyms	7-methoxy-2-(trifluoromethyl)-4H-chromen-4-one, 578-84-7, CHEMBL3099591, 7-methoxy-2-trifluoromethylchromone, 4H-1-Benzopyran-4-one, 7-methoxy-2-(trifluoromethyl)-, AK114291, CDS1_004102, AC1LHYN6, CBMicro_023686, MixCom6_000710, DivK1c_005142, CTK1E0617, DTXSID00357920, WT870, ZINC437880, BDBM50444536, CCG-10914, MFCD00760804, STK074790, AKOS001704383, DS-6436, MCULE-9210328196, KS-000001A4, AJ-22868, BIM-0023812.P001, 7-methoxy-2-(trifluoromethyl)chromen-4-one, AX8220957, ST24045683, X5672, Q-9355, SR-01000513684, SR-01000513684-1, 2-(Trifluoromethyl)-7-methoxy-4H-1-benzopyran-4-one, A1154/0053983, 578-84-7 7-methoxy-2-(trifluoromethyl)-4H-chromen-4-one, C11H7F3O3, CID871502, 2-(trifluoromethyl)-7-methoxy-4H-chromen-4-one,

Complexity	348
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.035g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	244.169g/mol
Monoisotopic Mass	244.035g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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