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2-Chloro-1-(2，3-Dihydrobenzofuran-5-Yl)Ethanone - ≥95%, high purity , CAS No.64089-34-5

COA

Grade & Purity:

≥95%

Cas Number: 64089-34-5
Molecular Weight: 196.64
PubChem CID: 6504170

In stock

Item Number

C709956

Grouped product items
SKU	Size	Availability	Price	Qty
C709956-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$138.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Coumarans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Coumarans
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Coumarans
Alternative Parents	Aryl alkyl ketones Alkyl aryl ethers Benzenoids Alpha-chloroketones Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides Aldehydes
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Coumaran - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Benzenoid - Alpha-chloroketone - Alpha-haloketone - Ketone - Oxacycle - Ether - Hydrocarbon derivative - Organic oxygen compound - Aldehyde - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as coumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring.
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	2-chloro-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
INCHI	InChI=1S/C10H9ClO2/c11-6-9(12)7-1-2-10-8(5-7)3-4-13-10/h1-2,5H,3-4,6H2
InChIKey	HQFACNABSBZAFM-UHFFFAOYSA-N
Smiles	C1COC2=C1C=C(C=C2)C(=O)CCl
Isomeric SMILES	C1COC2=C1C=C(C=C2)C(=O)CCl
PubChem CID	6504170
Molecular Weight	196.64

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	196.630 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	196.029 Da
Monoisotopic Mass	196.029 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	205.000
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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