Cas no 1192217-76-7 (Methyl 3-bromo-1-(phenylsulfonyl)-1H-pyrrole-2-carboxylate)
1192217-76-7 structure
Product Name:Methyl 3-bromo-1-(phenylsulfonyl)-1H-pyrrole-2-carboxylate
CAS No:1192217-76-7
MF:C12H10BrNO4S
MW:344.181101322174
CID:5024658
Update Time:2023-08-25
Methyl 3-bromo-1-(phenylsulfonyl)-1H-pyrrole-2-carboxylate Chemical and Physical Properties
Names and Identifiers
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- methyl 3-bromo-1-(phenylsulfonyl)-1H-pyrrole-2-carboxylate
- methyl 1-phenylsulfonyl-3-bromo-1h-pyrrole-2-carboxylate
- methyl 1-benzenesulfonyl-3-bromo-1h-pyrrole-2-carboxylate
- methyl 1-(benzenesulfonyl)-3-bromo-1H-pyrrole-2-carboxylate
- methyl 1-(benzenesulfonyl)-3-bromopyrrole-2-carboxylate
- 1-(Phenylsulfonyl)-3-bromo-1H-pyrrole-2-carboxylic acid methyl ester
- Methyl 3-bromo-1-(phenylsulfonyl)-1H-pyrrole-2-carboxylate
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- Inchi： 1S/C12H10BrNO4S/c1-18-12(15)11-10(13)7-8-14(11)19(16,17)9-5-3-2-4-6-9/h2-8H,1H3
- InChI Key： RHERHCNHZFNGCY-UHFFFAOYSA-N
- SMILES： BrC1C=CN(C=1C(=O)OC)S(C1C=CC=CC=1)(=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 428
- XLogP3: 2.8
- Topological Polar Surface Area: 73.8
Methyl 3-bromo-1-(phenylsulfonyl)-1H-pyrrole-2-carboxylate Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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