AG003J97

842140-52-7 | 3'-Chloro-5'-fluoroacetophenone

AG003J97

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CAS Number	842140-52-7
Catalog Number	AG003J97(AGN-PC-0UQW2M)
Chemical Name	3'-Chloro-5'-fluoroacetophenone
IUPAC Name	1-(3-chloro-5-fluorophenyl)ethanone
InChI	InChI=1S/C8H6ClFO/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3
InChI Key	BVKHCVHYQNGCSC-UHFFFAOYSA-N
MDL Number	MFCD04115834
Molecular Formula	C8H6ClFO
Molecular Weight	172.5840
SMILES	CC(C1=CC(F)=CC(Cl)=C1)=O
Synonyms	842140-52-7, 3'-Chloro-5'-fluoroacetophenone, 1-(3-chloro-5-fluorophenyl)ethanone, 3-chloro-5-fluoroacetophenone, MFCD04115834, 1-(3-CHLORO-5-FLUOROPHENYL)ETHAN-1-ONE, AC1MBW2Y, 3-chloro-5-fluoro acetophenone, SCHEMBL1160981, CTK5F2020, 3'-Fluoro-5'-chloroacetophenone, DTXSID50373933, BVKHCVHYQNGCSC-UHFFFAOYSA-N, 1-acetyl-3-chloro-5-fluorobenzene, ACT00875, JRD-1296, KS-000011FJ, ZINC2527757, ZX-AP005366, ANW-46268, FCH920208, PC4214, SBB088712, AKOS006345921, 1-(3-Chloro-5-fluoro-phenyl)ethanone, AB20622, AS04026, AS05139, CC-1159, CM11162, 1-(3-chloro-5-fluoro-phenyl)-ethanone, Ethanone,1-(3-chloro-5-fluorophenyl)-, AJ-38135, AK-86410, AS-18564, AX8085921, RT-008147, ST2403150, FT-0692119, W8694, A19699, I01-8598, C8H6ClFO, ZINC02527757, CID2757531,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.009g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.583g/mol
Monoisotopic Mass	172.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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