Cas no 143701-81-9 (2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl chloride)
143701-81-9 structure
Product Name:2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl chloride
CAS No:143701-81-9
MF:C9H6ClF3O3S
MW:286.655351161957
CID:1313957
PubChem ID:11808291
Update Time:2025-04-20
2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl chloride Chemical and Physical Properties
Names and Identifiers
-
- 2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl chloride
- Benzoyl chloride, 2-(methylsulfonyl)-4-(trifluoromethyl)-
- WS1&
- R BVG EXFFF
- LogP
- 2-methylsulfonyl-4-(trifluoromethyl)benzoyl chloride
- 143701-81-9
- 2-(methylsulfonyl)-4-trifluoromethylbenzoyl chloride
- SCHEMBL8182991
- DTXSID40888980
-
- Inchi： 1S/C9H6ClF3O3S/c1-17(15,16)7-4-5(9(11,12)13)2-3-6(7)8(10)14/h2-4H,1H3
- InChI Key： SSFHJYALDMCLPO-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC(C(F)(F)F)=CC=1S(C)(=O)=O)=O
Computed Properties
- Exact Mass: 285.96788
- Monoisotopic Mass: 285.9678274g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 399
- 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: 2.6
- Topological Polar Surface Area: 59.6?2
Experimental Properties
- PSA: 51.21
2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl chloride Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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