AG00GTEC

898767-04-9 | 3-Chloro-1-(2-fluorophenyl)-1-oxopropane

AG00GTEC

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CAS Number	898767-04-9
Catalog Number	AG00GTEC(AGN-PC-0WB2N1)
Chemical Name	3-Chloro-1-(2-fluorophenyl)-1-oxopropane
IUPAC Name	3-chloro-1-(2-fluorophenyl)propan-1-one
InChI	InChI=1S/C9H8ClFO/c10-6-5-9(12)7-3-1-2-4-8(7)11/h1-4H,5-6H2
InChI Key	WCNSDVGUYXGZDE-UHFFFAOYSA-N
MDL Number	MFCD07699515
Molecular Formula	C9H8ClFO
Molecular Weight	186.6106
SMILES	O=C(C1=CC=CC=C1F)CCCl
Synonyms	3-Chloro-1-(2-fluorophenyl)propan-1-one, 898767-04-9, 3-chloro-1-(2-fluorophenyl)-1-propanone, 3-Chloro-1-(2-fluorophenyl)-1-oxopropane, ACMC-209r3b, SCHEMBL8972179, 3-Chloro-2'-fluoropropiophenone, CTK5G4771, DTXSID50601642, KS-00002B1H, 6018b, ANW-39381, FCH856365, MFCD07699515, ZINC43210693, AKOS006287530, MCULE-5284658109, SS-3519, SY096664, AJ-108293, AX8239686, TR-028196, CS-0045341, ST24022814, V8855, MFCD07699515 (95%), I14-25318, C9H8ClFO,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.025g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.61g/mol
Monoisotopic Mass	186.025g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number