AG003GWE

53250-83-2 | 2-Chloro-4-(methylsulfonyl)benzoic Acid

AG003GWE

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CAS Number	53250-83-2
Catalog Number	AG003GWE(AGN-PC-0JVO3G)
Chemical Name	2-Chloro-4-(methylsulfonyl)benzoic Acid
EC Number	406-520-8
IUPAC Name	2-chloro-4-methylsulfonylbenzoic acid
InChI	InChI=1S/C8H7ClO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)
InChI Key	CTTWSFIIFMWHLQ-UHFFFAOYSA-N
MDL Number	MFCD00216496
Molecular Formula	C8H7ClO4S
Molecular Weight	234.6568
SMILES	O=C(O)C1=CC=C(S(=O)(C)=O)C=C1Cl
Synonyms	2-Chloro-4-(methylsulfonyl)benzoic acid, 53250-83-2, 2-Chloro-4-methylsulfonylbenzoic acid, 2-chloro-4-methylsulphonylbenzoic acid, 2-chloro-4-methanesulfonylbenzoic acid, Benzoic acid, 2-chloro-4-(methylsulfonyl)-, MFCD00216496, 2-Chloro-4-MethanesulfonYl-Benzoic Acid, 2-Chloro-4-(Methylsulfonyl)Benzoic Acid (Dry Basis), 2-Chloro-4-methylsulphonylbenzoic acid, 95%, Maybridge1_004133, AC1LEGTZ, PubChem20281, 2-chloro-4-(methylsulphonyl)benzoic acid, ACMC-1AUPA, AC1Q5TYR, EC 406-520-8, AC1Q4GH5, Oprea1_032467, 2-chloro-4-mesylbenzoic acid, KSC273K0N, SCHEMBL403618, CTK1H3506, HMS553D21, DTXSID10201364, CTTWSFIIFMWHLQ-UHFFFAOYSA-N, ZINC153754, ACT05639, ANW-31671, CCG-56383, SBB003254, AKOS015850034, 2-chloro-4-methylsulfonyl benzoic acid, 2-chloro-4-methylsulfonyl-benzoic acid, CC-2220, MCULE-9523182984, PB10137, PS-3128, RTR-018834, TRA0034213, VZ24215, 2-chloro-4-methanesulfonyl benzoic acid, 2-chloro-4-methanesulphonylbenzoic acid, 2-chloro-4-methylsulphonyl benzoic acid, KS-0000018V, 2-Chloro-4-(methanesulfonyl)benzoic acid, 2-chloro-4-(methylsulfonyl)-benzoic acid, AC-12552, AJ-13075, AK-26778, AN-40812, BC204823, BP-12859, BR-26778, SC-81394, SY006742, AB0003364, DB-020796, ST2416696, TR-018834, AM20061184, FT-0611738, ST50307625, M-1775, MFCD00216496 (95+%), 2-chloro-4-(methylsulfonyl)benzenecarboxylic acid, 250C832, I01-0209, SR-01000645344-1, 2-Chloro-4-(methylsulfonyl)benzoic acid, AldrichCPR, F0001-1374, C8H7ClO4S, C8-H7-Cl-O4-S, AR-1E0197, CID735863, 2-Chloro-4-methyl sulfonylbenzoic acid, C2726, 2-Chloro-4-(methylsulfonyl)benzoic acid, 95% - 1G 1g, 63834-63-9,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.975g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	234.65g/mol
Monoisotopic Mass	233.975g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number