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5-CHLORO-3H-SPIRO[ISOBENZOFURAN-1，4'-PIPERIDIN]-3-ONE HCL - ≥97%, high purity , CAS No.180160-47-8

COA

Grade & Purity:

≥97%

Cas Number: 180160-47-8
Molecular Weight: 237.68
PubChem CID: 23136949

In stock

Item Number

C731032

Grouped product items
SKU	Size	Availability	Price
C731032-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$409.90
C731032-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,000.90
C731032-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,121.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzofurans
    - Subclass Benzofuranones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzofurans
Subclass	Benzofuranones
Intermediate Tree Nodes	Not available
Direct Parent	Benzofuranones
Alternative Parents	Phthalides Isobenzofurans Aralkylamines Piperidines Aryl chlorides Benzenoids Lactones Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzofuranone - Isobenzofuranone - Phthalide - Isocoumaran - Isobenzofuran - Aralkylamine - Aryl chloride - Aryl halide - Piperidine - Benzenoid - Amino acid or derivatives - Carboxylic acid ester - Lactone - Secondary aliphatic amine - Carboxylic acid derivative - Oxacycle - Secondary amine - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	6-chlorospiro[2-benzofuran-3,4'-piperidine]-1-one
INCHI	InChI=1S/C12H12ClNO2/c13-8-1-2-10-9(7-8)11(15)16-12(10)3-5-14-6-4-12/h1-2,7,14H,3-6H2
InChIKey	SIUBZWCKBKOZMD-UHFFFAOYSA-N
Smiles	C1CNCCC12C3=C(C=C(C=C3)Cl)C(=O)O2
Isomeric SMILES	C1CNCCC12C3=C(C=C(C=C3)Cl)C(=O)O2
PubChem CID	23136949
Molecular Weight	237.68

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	237.680 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	237.056 Da
Monoisotopic Mass	237.056 Da
Topological Polar Surface Area	38.300 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	301.000
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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