Cas no 160065-90-7 (6-Bromo-5-nitro-9H-beta-carboline)
160065-90-7 structure
Product Name:6-Bromo-5-nitro-9H-beta-carboline
CAS No:160065-90-7
MF:C11H6BrN3O2
MW:292.088241100311
CID:2780155
PubChem ID:71350932
Update Time:2025-04-21
6-Bromo-5-nitro-9H-beta-carboline Chemical and Physical Properties
Names and Identifiers
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- 160065-90-7
- DTXSID50776703
- 6-Bromo-5-nitro-9H-beta-carboline
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- Inchi： 1S/C11H6BrN3O2/c12-7-1-2-8-10(11(7)15(16)17)6-3-4-13-5-9(6)14-8/h1-5,14H
- InChI Key： GUUXIKDTCUGDEG-UHFFFAOYSA-N
- SMILES： BrC1C=CC2=C(C=1[N+](=O)[O-])C1C=CN=CC=1N2
Computed Properties
- Exact Mass: 290.96434Da
- Monoisotopic Mass: 290.96434Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 322
- 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: 2.8
- Topological Polar Surface Area: 74.5?2
6-Bromo-5-nitro-9H-beta-carboline Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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