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Methyl 3-amino-6-bromobenzo[b]thiophene-2-carboxylate - ≥95%, high purity , CAS No.1017782-63-6

COA

Grade & Purity:

≥95%

Cas Number: 1017782-63-6
Molecular Weight: 286.15
PubChem CID: 42544307

In stock

Item Number

M731885

Grouped product items
SKU	Size	Availability	Price
M731885-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$94.90
M731885-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$266.90
M731885-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,087.90

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	Thiophene carboxylic acids and derivatives Benzenoids Aryl bromides Aminothiophenes Vinylogous amides Methyl esters Heteroaromatic compounds Amino acids and derivatives Primary amines Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1-benzothiophene - Thiophene carboxylic acid or derivatives - Aminothiophene - Aryl bromide - Aryl halide - Benzenoid - Heteroaromatic compound - Vinylogous amide - Methyl ester - Thiophene - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - 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	methyl 3-amino-6-bromo-1-benzothiophene-2-carboxylate
INCHI	InChI=1S/C10H8BrNO2S/c1-14-10(13)9-8(12)6-3-2-5(11)4-7(6)15-9/h2-4H,12H2,1H3
InChIKey	PZARJZCGTKHODQ-UHFFFAOYSA-N
Smiles	COC(=O)C1=C(C2=C(S1)C=C(C=C2)Br)N
Isomeric SMILES	COC(=O)C1=C(C2=C(S1)C=C(C=C2)Br)N
PubChem CID	42544307
Molecular Weight	286.15

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	286.150 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	284.946 Da
Monoisotopic Mass	284.946 Da
Topological Polar Surface Area	80.600 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	264.000
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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