Cas no 917867-70-0 (3-Bromo-2-(methoxymethyl)-1-benzothiophene)
917867-70-0 structure
Product Name:3-Bromo-2-(methoxymethyl)-1-benzothiophene
CAS No:917867-70-0
MF:C10H9BrOS
MW:257.146860837936
CID:783741
Update Time:2023-08-03
3-Bromo-2-(methoxymethyl)-1-benzothiophene Chemical and Physical Properties
Names and Identifiers
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- Benzo[b]thiophene, 3-bromo-2-(methoxymethyl)-
- 3-bromo-2-(methoxymethyl)-1-benzothiophene
- 3-Bromo-2-(methoxymethyl)-1-benzothiophene
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- Inchi： 1S/C10H9BrOS/c1-12-6-9-10(11)7-4-2-3-5-8(7)13-9/h2-5H,6H2,1H3
- InChI Key： JGCTXEAOIBZJAK-UHFFFAOYSA-N
- SMILES： BrC1=C(COC)SC2C=CC=CC=21
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 176
- Topological Polar Surface Area: 37.5
3-Bromo-2-(methoxymethyl)-1-benzothiophene Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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