Cas no 74076-57-6 (3,5,7-Tribromo-6-methoxy-1H-indole)
74076-57-6 structure
Product Name:3,5,7-Tribromo-6-methoxy-1H-indole
CAS No:74076-57-6
MF:C9H6Br3NO
MW:383.862040042877
CID:2013898
PubChem ID:68590940
Update Time:2025-04-21
3,5,7-Tribromo-6-methoxy-1H-indole Chemical and Physical Properties
Names and Identifiers
-
- 3,5,7-Tribromo-6-methoxy-1H-indole
- 6-methoxy-3,5,7-tribromoindole
- 74076-57-6
- DTXSID101297708
- SCHEMBL3309764
-
- Inchi： 1S/C9H6Br3NO/c1-14-9-5(10)2-4-6(11)3-13-8(4)7(9)12/h2-3,13H,1H3
- InChI Key： AVMACQMLXUFKII-UHFFFAOYSA-N
- SMILES： COC1C(Br)=C2C(C(=CN2)Br)=CC=1Br
Computed Properties
- Exact Mass: 382.798
- Monoisotopic Mass: 380.8
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 216
- 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
- Topological Polar Surface Area: 25A^2
- XLogP3: 4.1
3,5,7-Tribromo-6-methoxy-1H-indole Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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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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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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