Cas no 1350926-53-2 (4-bromo-2-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide)
1350926-53-2 structure
Product Name:4-bromo-2-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CAS No:1350926-53-2
MF:C13H10BrF2NO2S
MW:362.189808368683
CID:2604984
PubChem ID:97455681
Update Time:2024-11-04
4-bromo-2-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide Chemical and Physical Properties
Names and Identifiers
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- 4-Bromo-2-fluoro-N-(4-fluorobenzyl)benzenesulfonamide
- 4-bromo-2-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
- 1350926-53-2
-
- MDL: MFCD27975690
- Inchi: 1S/C13H10BrF2NO2S/c14-10-3-6-13(12(16)7-10)20(18,19)17-8-9-1-4-11(15)5-2-9/h1-7,17H,8H2
- InChI Key: HXFUECGMSBHDHG-UHFFFAOYSA-N
- SMILES: BrC1C=CC(=C(C=1)F)S(NCC1C=CC(=CC=1)F)(=O)=O
Computed Properties
- Exact Mass: 360.95837g/mol
- Monoisotopic Mass: 360.95837g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 407
- 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: 3.3
- Topological Polar Surface Area: 54.6
4-bromo-2-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide Related Literature
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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