AG003L84

5000-48-6 | 4-Chlorophenylsulfonylacetone

AG003L84

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CAS Number	5000-48-6
Catalog Number	AG003L84(AGN-PC-0JS9XV)
Chemical Name	4-Chlorophenylsulfonylacetone
IUPAC Name	1-(4-chlorophenyl)sulfonylpropan-2-one
InChI	InChI=1S/C9H9ClO3S/c1-7(11)6-14(12,13)9-4-2-8(10)3-5-9/h2-5H,6H2,1H3
InChI Key	BRDBHPZILGTBFY-UHFFFAOYSA-N
MDL Number	MFCD00018663
Molecular Formula	C9H9ClO3S
Molecular Weight	232.6840
SMILES	CC(CS(=O)(C1=CC=C(Cl)C=C1)=O)=O
Synonyms	5000-48-6, 4-Chlorophenylsulfonylacetone, 1-[(4-Chlorophenyl)sulfonyl]acetone, 1-((4-Chlorophenyl)sulfonyl)propan-2-one, 4-Chlorobenzenesulphonylacetone, p-Chlorophenylsulfonylacetone, (4-Chlorophenylsulfonyl)acetone, BRDBHPZILGTBFY-UHFFFAOYSA-N, MFCD00018663, (4-CHLOROBENZENESULFONYL)ACETONE, 1-(4-chlorophenyl)sulfonylpropan-2-one, 1-(4-chlorobenzenesulfonyl)propan-2-one, 4-Chlorophenylsulfonylacetone, 98+%, 1-[(4-chlorophenyl)sulfonyl]propan-2-one, AC1LAVD8, Maybridge1_004685, ACMC-1ARR8, AC1Q1K6J, 4-Chlorobenzenesulfonylacetone, 4-chlorophenylsulfonyl acetone, SCHEMBL2027971, CTK4J1951, HMS554M21, ZINC34175, DTXSID20334596, 4-Chlorophenylsulfonylpropan-2-one, 4-Chlorobenzenesulphonylpropan-2-one, CCG-51895, SBB061850, STK670774, AKOS005592431, MCULE-7787932032, MS-7143, RP05609, VZ28833, 1-(4-chlorophenyl)sulfonyl-2-propanone, 1-(4-chlorophenylsulfonyl)propan-2-one, KS-000028Z9, AJ-08598, KM 01166, ST049195, ZB000941, 1-(4-chloro-benzenesulfonyl)-propan-2-one, DB-051715, TC-168918, 2-Propanone,1-[(4-chlorophenyl)sulfonyl]-, FT-0604752, Propan-2-one, 1-(4-chlorophenylsulphonyl)-, ST24036949, TL80073541, Y9239, 2-Propanone, 1-[(4-chlorophenyl)sulfonyl]-, A827928, J-504075, SR-01000641165-1, I14-55590, A0770/0036030, C9H9ClO3S, CID521269, ZINC00034175,

Complexity	297
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.996g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	232.678g/mol
Monoisotopic Mass	231.996g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	59.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number