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Ethyl 6-iodo-4-oxo-4h-chromene-2-carboxylate - 95%, high purity , CAS No.35204-44-5
Discover Ethyl 6-iodo-4-oxo-4h-chromene-2-carboxylate by Aladdin Scientific in 95% for only $63.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
Ethyl 6-iodo-4-oxo-4H-chromene-2-carboxylate | 35204-44-5 | ethyl 6-iodo-4-oxochromene-2-carboxylate | Maybridge1_002002 | SCHEMBL2811962 | HMS547C22 | DTXSID80379468 | HUJFMOAXSPSGDU-UHFFFAOYSA-N | Ethyl 6-iodochromone-2-carboxylate | MFCD00100378 | AKOS025393440 | CCG-235201
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Not available
Direct Parent
Chromones
Alternative Parents
Pyranones and derivatives Benzenoids Aryl iodides Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chromone - Pyranone - Aryl halide - Aryl iodide - Benzenoid - Pyran - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organoiodide - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
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
ethyl 6-iodo-4-oxochromene-2-carboxylate
INCHI
InChI=1S/C12H9IO4/c1-2-16-12(15)11-6-9(14)8-5-7(13)3-4-10(8)17-11/h3-6H,2H2,1H3
InChIKey
HUJFMOAXSPSGDU-UHFFFAOYSA-N
Smiles
CCOC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)I
Isomeric SMILES
CCOC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)I
Molecular Weight
344.1
Reaxy-Rn
22773329
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22773329&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
344.100 g/mol
XLogP3
3.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
343.955 Da
Monoisotopic Mass
343.955 Da
Topological Polar Surface Area
52.600 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
364.000
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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