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3-Chlorobenzofuran-2-carboxylic acid - 97%, high purity , CAS No.856180-58-0
Discover 3-Chlorobenzofuran-2-carboxylic acid by Aladdin Scientific in 97% for only $539.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
3-Chlorobenzofuran-2-carboxylic acid | 856180-58-0 | 3-chloro-1-benzofuran-2-carboxylic acid | SCHEMBL3879779 | 3-Chlorobenzofuran-2-carboxylicacid | MFCD20542831 | AKOS022190338 | DS-9321 | CS-0456278 | C76764 | EN300-188446 | A863509 | Z1262529840
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzofurans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzofurans
Alternative Parents
Furoic acids Benzenoids Aryl chlorides Vinylogous halides Heteroaromatic compounds Oxacyclic compounds Carboxylic acids Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzofuran - Furoic acid or derivatives - Furoic acid - Aryl chloride - Aryl halide - Benzenoid - Heteroaromatic compound - Furan - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
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
3-chloro-1-benzofuran-2-carboxylic acid
INCHI
InChI=1S/C9H5ClO3/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H,11,12)
InChIKey
HYYPKAKRYNNGPH-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)C(=C(O2)C(=O)O)Cl
Isomeric SMILES
C1=CC=C2C(=C1)C(=C(O2)C(=O)O)Cl
Molecular Weight
196.59
Reaxy-Rn
140614
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=140614&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
196.580 g/mol
XLogP3
2.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
195.993 Da
Monoisotopic Mass
195.993 Da
Topological Polar Surface Area
50.400 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
219.000
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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