Cas no 82787-74-4 (methyl 6-(bromomethyl)benzothiophene-2-carboxylate)
82787-74-4 structure
Product Name:methyl 6-(bromomethyl)benzothiophene-2-carboxylate
CAS No:82787-74-4
MF:C11H9BrO2S
MW:285.156961202621
CID:1807571
PubChem ID:13662982
Update Time:2025-04-21
methyl 6-(bromomethyl)benzothiophene-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- methyl 6-(bromomethyl)benzothiophene-2-carboxylate
- methyl 6-(bromomethyl)-1-benzothiophene-2-carboxylate
- Methyl-6-(brommethyl)-1-benzothiophen-2-carboxylat
- LogP
- SCHEMBL2250972
- 6-(Bromomethyl)benzo[b]thiophene-2-carboxylic acid methyl ester
- DB-196842
- 82787-74-4
-
- Inchi： 1S/C11H9BrO2S/c1-14-11(13)10-5-8-3-2-7(6-12)4-9(8)15-10/h2-5H,6H2,1H3
- InChI Key： GDRKRAZPZNBNDQ-UHFFFAOYSA-N
- SMILES： BrCC1C=CC2C=C(C(=O)OC)SC=2C=1
Computed Properties
- Exact Mass: 283.95066g/mol
- Monoisotopic Mass: 283.95066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 247
- 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: 3.7
- Topological Polar Surface Area: 54.5?2
methyl 6-(bromomethyl)benzothiophene-2-carboxylate Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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3. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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