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(6-Chloro-1-Benzothiophen-2-Yl)Methanol - ≥95%, high purity , CAS No.234107-53-0

COA

Grade & Purity:

≥95%

Cas Number: 234107-53-0
Molecular Weight: 198.67
PubChem CID: 36995598

In stock

Item Number

M731777

Grouped product items
SKU	Size	Availability	Price	Qty
M731777-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,212.90
M731777-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,424.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzothiophenes
    - Subclass 1-benzothiophenes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzothiophenes
Subclass	1-benzothiophenes
Intermediate Tree Nodes	Not available
Direct Parent	1-benzothiophenes
Alternative Parents	2,3,5-trisubstituted thiophenes Benzenoids Aryl chlorides Heteroaromatic compounds Primary alcohols Organochlorides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1-benzothiophene - 2,3,5-trisubstituted thiophene - Aryl chloride - Aryl halide - Benzenoid - Thiophene - Heteroaromatic compound - Alcohol - Primary alcohol - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic alcohol - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
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-chloro-1-benzothiophen-2-yl)methanol
INCHI	InChI=1S/C9H7ClOS/c10-7-2-1-6-3-8(5-11)12-9(6)4-7/h1-4,11H,5H2
InChIKey	VGQQRAFINZGCNU-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1Cl)SC(=C2)CO
Isomeric SMILES	C1=CC2=C(C=C1Cl)SC(=C2)CO
PubChem CID	36995598
Molecular Weight	198.67

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	198.670 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	197.991 Da
Monoisotopic Mass	197.991 Da
Topological Polar Surface Area	48.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	165.000
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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