Cas no 918401-72-6 (1,6,11-Triazacyclopentadecane, 1,6,11-tris[(4-fluorophenyl)sulfonyl]-)
918401-72-6 structure
Product Name:1,6,11-Triazacyclopentadecane, 1,6,11-tris[(4-fluorophenyl)sulfonyl]-
CAS No:918401-72-6
MF:C30H36F3N3O6S3
MW:687.813554763794
CID:776973
PubChem ID:71427399
Update Time:2025-04-19
1,6,11-Triazacyclopentadecane, 1,6,11-tris[(4-fluorophenyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
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- 1,6,11-Triazacyclopentadecane, 1,6,11-tris[(4-fluorophenyl)sulfonyl]-
- 1,6,11-tris[(4-fluorophenyl)sulfonyl]-1,6,11-triazacyclopentadecane
- 1,6,11-Tris(4-fluorobenzene-1-sulfonyl)-1,6,11-triazacyclopentadecane
- 918401-72-6
- DTXSID70846139
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- Inchi: 1S/C30H36F3N3O6S3/c31-25-7-13-28(14-8-25)43(37,38)34-19-1-2-20-35(44(39,40)29-15-9-26(32)10-16-29)22-5-6-24-36(23-4-3-21-34)45(41,42)30-17-11-27(33)12-18-30/h7-18H,1-6,19-24H2
- InChI Key: UZVHASLUJCGWNY-UHFFFAOYSA-N
- SMILES: S(C1C=CC(=CC=1)F)(N1CCCCN(CCCCN(CCCC1)S(C1C=CC(=CC=1)F)(=O)=O)S(C1C=CC(=CC=1)F)(=O)=O)(=O)=O
Computed Properties
- Exact Mass: 687.17183388g/mol
- Monoisotopic Mass: 687.17183388g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 45
- Rotatable Bond Count: 6
- Complexity: 1050
- 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: 5
- Topological Polar Surface Area: 137?2
1,6,11-Triazacyclopentadecane, 1,6,11-tris[(4-fluorophenyl)sulfonyl]- Related Literature
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Danlei Xiang Nanoscale, 2021,13, 5497-5506
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Bo Chen,Xiaotong Shen,Zhangfeng Luo,Di Cai,Changjing Chen,Changwei Zhang,Peiyong Qin,Hui Cao,Tianwei Tan RSC Adv., 2018,8, 25602-25610
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