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6-Bromophenanthridine - 98%, high purity , CAS No.17613-40-0
Basic Description
Synonyms
6-bromophenanthridine | 17613-40-0 | C13H8BrN | SCHEMBL8205763 | AMY7433 | DTXSID50449768 | MFCD09836427 | AKOS005067474 | DS-4766 | SB67096 | CS-0155933 | FT-0752735 | C73355
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Benzoquinolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenanthridines and derivatives
Alternative Parents
Haloquinolines Isoquinolines and derivatives 2-halopyridines Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenanthridine - Haloquinoline - Isoquinoline - 2-halopyridine - Aryl bromide - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organobromide - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenanthridines and derivatives. These are polycyclic compounds containing a phenanthridine moiety, which is a tricyclic system with two benzene rings joined by a pyridine forming a non-linear skeleton. Hydrogenated derivatives are also included.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
6-bromophenanthridine
INCHI
InChI=1S/C13H8BrN/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H
InChIKey
GMWZNUNCVLSUGP-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)C3=CC=CC=C3N=C2Br
Isomeric SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N=C2Br
Molecular Weight
258.11
Reaxy-Rn
141510
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=141510&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
258.110 g/mol
XLogP3
4.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
256.984 Da
Monoisotopic Mass
256.984 Da
Topological Polar Surface Area
12.900 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
231.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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