Cas no 184829-68-3 (Acetic acid--3-(4-fluorobenzene-1-sulfonyl)propan-1-ol (1/1))
184829-68-3 structure
Product Name:Acetic acid--3-(4-fluorobenzene-1-sulfonyl)propan-1-ol (1/1)
CAS No:184829-68-3
MF:C11H15FO5S
MW:278.297206163406
CID:2784376
Update Time:2023-08-07
Acetic acid--3-(4-fluorobenzene-1-sulfonyl)propan-1-ol (1/1) Chemical and Physical Properties
Names and Identifiers
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- Acetic acid--3-(4-fluorobenzene-1-sulfonyl)propan-1-ol (1/1)
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- Inchi： 1S/C9H11FO3S.C2H4O2/c10-8-2-4-9(5-3-8)14(12,13)7-1-6-11;1-2(3)4/h2-5,11H,1,6-7H2;1H3,(H,3,4)
- InChI Key： PDOQKUWRZJSKIH-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)F)(CCCO)(=O)=O.OC(C)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 281
- Topological Polar Surface Area: 100
Acetic acid--3-(4-fluorobenzene-1-sulfonyl)propan-1-ol (1/1) Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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