AG003FE5

243448-15-9 | 1-(2,3,4-Trifluorophenyl)ethanone

AG003FE5

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CAS Number	243448-15-9
Catalog Number	AG003FE5(AGN-PC-0R05A6)
Chemical Name	1-(2,3,4-Trifluorophenyl)ethanone
IUPAC Name	1-(2,3,4-trifluorophenyl)ethanone
InChI	InChI=1S/C8H5F3O/c1-4(12)5-2-3-6(9)8(11)7(5)10/h2-3H,1H3
InChI Key	VCXSJKJNPCPBOM-UHFFFAOYSA-N
MDL Number	MFCD00061231
Molecular Formula	C8H5F3O
Molecular Weight	174.1199
SMILES	CC(=O)C1=C(F)C(F)=C(F)C=C1
Synonyms	1-(2,3,4-trifluorophenyl)ethanone, 243448-15-9, 2',3',4'-Trifluoroacetophenone, 2,3,4-trifluoroacetophenone, 2'',3'',4''-TRIFLUOROACETOPHENONE, MFCD00061231, 1-acetyl-2,3,4-trifluorobenzene, PubChem8438, AC1MCRB8, Intermediates-ZCF02656, SCHEMBL671906, 2,3,4-trifluoro acetophenone, CTK4F3439, KS-00000ZVA, DTXSID10380289, JRD-0602, ZINC4290137, ANW-66246, SBB088851, AKOS009157393, 1-(2,3,4-trifluoro-phenyl)-ethanone, AS04043, AS05274, CM11230, MCULE-5795838730, Ethanone,1-(2,3,4-trifluorophenyl)-, 1-(2,3,4-trifluorophenyl)ethan-1-one, AJ-50292, AK-79660, CJ-11874, DS-17722, SC-92646, RT-006604, 4CH-002453, FT-0687069, ST24020974, ST50827570, Z4477, A19720, M-6822, ETHANONE, 1-(2,3,4-TRIFLUOROPHENYL)-, I14-105395, C8H5F3O, ZINC04290137, CID2776902,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.029g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	174.122g/mol
Monoisotopic Mass	174.029g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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