Cas no 487021-62-5 (Benzo[b]thiophene, 3-bromo-6-methoxy-)
487021-62-5 structure
Product Name:Benzo[b]thiophene, 3-bromo-6-methoxy-
CAS No:487021-62-5
MF:C9H7BrOS
MW:243.120280504227
CID:4002610
PubChem ID:17892711
Update Time:2025-04-22
Benzo[b]thiophene, 3-bromo-6-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[b]thiophene, 3-bromo-6-methoxy-
- 3-Bromo-6-methoxybenzo[b]thiophene
- DTXSID901297645
- NKMPIVMECGKBMI-UHFFFAOYSA-N
- SCHEMBL5544081
- 3-Bromo-6-methoxybenzothiophene
- 487021-62-5
-
- Inchi: 1S/C9H7BrOS/c1-11-6-2-3-7-8(10)5-12-9(7)4-6/h2-5H,1H3
- InChI Key: NKMPIVMECGKBMI-UHFFFAOYSA-N
- SMILES: C12=CC(OC)=CC=C1C(Br)=CS2
Computed Properties
- Exact Mass: 241.94010Da
- Monoisotopic Mass: 241.94010Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 165
- 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: 3.6
- Topological Polar Surface Area: 37.5?2
Benzo[b]thiophene, 3-bromo-6-methoxy- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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