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9-(CHLOROACETYL)CARBAZOLE , CAS No.38002-61-8
Basic Description
Synonyms
9-(chloroacetyl)-9H-carbazole | 38002-61-8 | 1-carbazol-9-yl-2-chloroethanone | 1-(9H-carbazol-9-yl)-2-chloroethanone | 1-(9H-CARBAZOL-9-YL)-2-CHLOROETHAN-1-ONE | 9-chloroacetylcarbazole | CHEMBL1651449 | DTXSID50365277 | MFCD00093938 | STK006159 | AKOS000270299 | LS-06250 | CS-
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Carbazoles
Intermediate Tree Nodes
Not available
Direct Parent
N-acylcarbazoles
Alternative Parents
Indoles Substituted pyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acylcarbazole - Indole - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acylcarbazoles. These are aromatic heteropolycyclic compounds containing a carbazole moiety, which is N-acylated.
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1-carbazol-9-yl-2-chloroethanone
INCHI
InChI=1S/C14H10ClNO/c15-9-14(17)16-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16/h1-8H,9H2
InChIKey
NIZUEICMEHKRKX-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)C3=CC=CC=C3N2C(=O)CCl
Isomeric SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2C(=O)CCl
Molecular Weight
243.695
Reaxy-Rn
189409
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=189409&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
243.690 g/mol
XLogP3
3.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
243.045 Da
Monoisotopic Mass
243.045 Da
Topological Polar Surface Area
22.000 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
285.000
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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