Cas no 77199-12-3 (Quinolizinium, 3-bromo-, bromide)
77199-12-3 structure
Product Name:Quinolizinium, 3-bromo-, bromide
CAS No:77199-12-3
MF:C9H7Br2N
MW:288.966580629349
CID:530578
PubChem ID:11346772
Update Time:2025-04-19
Quinolizinium, 3-bromo-, bromide Chemical and Physical Properties
Names and Identifiers
-
- Quinolizinium, 3-bromo-, bromide
- 3-bromoquinolizin-5-ium,bromide
- 3-Bromoquinolizinium bromide
- FT-0711063
- 77199-12-3
- DTXSID70463128
- 3-bromoquinolizin-5-ium;bromide
-
- Inchi: 1S/C9H7BrN.BrH/c10-8-4-5-9-3-1-2-6-11(9)7-8;/h1-7H;1H/q+1;/p-1
- InChI Key: CPMSZOBMUXGFPW-UHFFFAOYSA-M
- SMILES: BrC1=CC=C2C=CC=C[N+]2=C1.[Br-]
Computed Properties
- Exact Mass: 286.89500
- Monoisotopic Mass: 286.89452g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 138
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 4.1?2
Experimental Properties
- Melting Point: 259-261 oC (ethanol ethyl acetate )
- PSA: 4.10000
- LogP: -0.80820
Quinolizinium, 3-bromo-, bromide Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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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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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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