AG003CWZ

42444-14-4 | 3'-Fluoro-4'-methylacetophenone

AG003CWZ

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CAS Number	42444-14-4
Catalog Number	AG003CWZ(AGN-PC-0WA8MR)
Chemical Name	3'-Fluoro-4'-methylacetophenone
IUPAC Name	1-(3-fluoro-4-methylphenyl)ethanone
InChI	InChI=1S/C9H9FO/c1-6-3-4-8(7(2)11)5-9(6)10/h3-5H,1-2H3
InChI Key	XAMNMGLEJNLUIH-UHFFFAOYSA-N
MDL Number	MFCD01631411
Molecular Formula	C9H9FO
Molecular Weight	152.1656
SMILES	CC(=O)C1=CC(F)=C(C)C=C1
Synonyms	3'-Fluoro-4'-methylacetophenone, 42444-14-4, 1-(3-fluoro-4-methylphenyl)ethanone, 1-(3-fluoro-4-methylphenyl)ethan-1-one, 3-Fluoro-4-methylacetophenone, MFCD01631411, 1-acetyl-3-fluoro-4-methylbenzene, AC1MCON0, AC1Q1JLL, ACMC-20a317, SCHEMBL1926473, CTK4I6226, 4-ACETYL-2-FLUOROTOLUENE, DTXSID40379101, XAMNMGLEJNLUIH-UHFFFAOYSA-N, JRD-1107, ZINC2382055, 5851AB, ANW-54857, SBB086851, AKOS009157680, AS05187, FS-1094, MCULE-6821424398, NE43138, KS-000010G0, AJ-34730, TR-016618, FT-0647717, ST50824332, 3'-Fluoro-4'-methylacetophenone, AldrichCPR, I14-29727, Z1341710082, C9H9FO, ZINC02382055, CID2774569,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.064g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	152.168g/mol
Monoisotopic Mass	152.064g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

Certificate of Analysis

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