AG00IACE

58113-30-7 | 4-(3-Chloropropoxy)-3-methoxyacetophenone

AG00IACE

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CAS Number	58113-30-7
Catalog Number	AG00IACE(AGN-PC-0D4YDL)
Chemical Name	4-(3-Chloropropoxy)-3-methoxyacetophenone
EC Number	611-628-5
IUPAC Name	1-[4-(3-chloropropoxy)-3-methoxyphenyl]ethanone
InChI	InChI=1S/C12H15ClO3/c1-9(14)10-4-5-11(12(8-10)15-2)16-7-3-6-13/h4-5,8H,3,6-7H2,1-2H3
InChI Key	RBBVSSYQKVBALO-UHFFFAOYSA-N
MDL Number	MFCD05156572
Molecular Formula	C12H15ClO3
Molecular Weight	242.6987
SMILES	CC(C1=CC=C(OCCCCl)C(OC)=C1)=O
Synonyms	58113-30-7, 1-(4-(3-Chloropropoxy)-3-methoxyphenyl)ethanone, 1-[4-(3-chloropropoxy)-3-methoxyphenyl]ethanone, 4-(3-chloropropoxy)-3-methoxyacetophenone, 1-[4-(3-Chloropropoxy)-3-methoxyphenyl]ethan-1-one, Ethanone, 1-[4-(3-chloropropoxy)-3-methoxyphenyl]-, AK163219, J-503189, 1-(4-(3-chloropropoxy)-3-methoxyphenyl]ethanone, AC1OJ4NK, SCHEMBL470710, chloropropoxymethoxyphenylethanone, CTK5A7872, DTXSID80428521, RBBVSSYQKVBALO-UHFFFAOYSA-N, BCP11931, ZINC4666713, MFCD05156572, AKOS000140889, MCULE-5513420428, NE-0054, RP13870, KS-000029R9, AC-24782, AN-39809, AB1004568, AX8168661, DB-072425, TR-037160, 3-(p-acetyl-o-methoxyphenoxy)propyl chloride, AM20090769, FT-0652604, FT-0664929, ST24037285, X6172, 3-(p-Acetyl-o-methoxyphenoxy)-propyl chloride, 4-(3-chloropropoxy)-3-methoxyphenyl-ethanone, 1-[4(3chloropropoxy)-3-methoxyphenyl]ethanone, 1-chloro-3-(4-acetyl-2-methoxyphenoxy)propane, 3-(4-acetyl-2-methoxyphenoxy)-1-chloropropane, 1-[4(3-chloropropoxy)-3-methoxyphenyl]ethanone, 1-[4-(3chloropropoxy)-3-methoxyphenyl]ethanone, 1-[4(3-chloropropoxy)-3-methoxyphenyl]-ethanone, 1-[4-(3-chloropropoxy)-3 methoxyphenyl]ethanone, 1-[4-(3-chloropropoxy)-3-methyoxyphenyl]ethanone, 1-[4-(3-chloropropoxyl)-3-methoxyphenyl]ethanone, 1-[4-(3chloropropoxy)-3-methoxyphenyl]-ethanone, A831745, AO-638/40907417, 1-[4- (3-chloropropoxy)-3-methoxyphenyl]-ethanone, 1-[4-(3-chloropropoxy)-3-methoxy-phenyl]ethanone, 1-[4-(3-chloropropoxy)-3-methoxyphenyl] ethanone, 1-[4-(3-chloropropoxy)-3-methoxyphenyl]-ethanone, Ethanone,1-[4-(3-chloropropoxy)-3-methoxyphenyl]-, I01-7303, 1-[4-(3-chloranylpropoxy)-3-methoxy-phenyl]ethanone, Iloperidone Impurity B, C12H15ClO3, ZINC04666713, CID7314264, CS-O-31665,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.071g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	242.699g/mol
Monoisotopic Mass	242.071g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number