Cas no 216486-04-3 (Benzoic acid, 3-chloro-2-methyl-4-(methylsulfonyl)-)
216486-04-3 structure
Product Name:Benzoic acid, 3-chloro-2-methyl-4-(methylsulfonyl)-
CAS No:216486-04-3
MF:C9H9ClO4S
MW:248.683360815048
CID:1408792
PubChem ID:21183181
Update Time:2025-04-20
Benzoic acid, 3-chloro-2-methyl-4-(methylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-chloro-2-methyl-4-(methylsulfonyl)-
- SCHEMBL3764955
- 216486-04-3
- 3-chloro-2-methyl-4-(methylsulfonyl)benzoic acid
- AZESYOILLWDEBC-UHFFFAOYSA-N
- 3-chloro-2-methyl-4-methylsulfonylbenzoic acid
-
- Inchi： 1S/C9H9ClO4S/c1-5-6(9(11)12)3-4-7(8(5)10)15(2,13)14/h3-4H,1-2H3,(H,11,12)
- InChI Key： AZESYOILLWDEBC-UHFFFAOYSA-N
- SMILES： ClC1C(C)=C(C(=O)O)C=CC=1S(C)(=O)=O
Computed Properties
- Exact Mass: 247.99107
- Monoisotopic Mass: 247.9910076g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 346
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 79.8?2
Experimental Properties
- PSA: 71.44
Benzoic acid, 3-chloro-2-methyl-4-(methylsulfonyl)- Related Literature
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
216486-04-3 (Benzoic acid, 3-chloro-2-methyl-4-(methylsulfonyl)-) Related Products
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Aoguang Biotechnology Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Nanjing jingzhu bio-technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
