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3-Bromo-1H-indole-6-carboxylic acid - 96%, high purity , CAS No.219508-19-7

COA

Grade & Purity:

≥96%

Cas Number: 219508-19-7
Molecular Weight: 240.1
PubChem CID: 15543043

In stock

Item Number

B182852

Grouped product items
SKU	Size	Availability	Price
B182852-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$378.90
B182852-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,014.90
B182852-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,348.90

Basic Description

Synonyms	3-BROMO-1H-INDOLE-6-CARBOXYLIC ACID \| 219508-19-7 \| 3-BROMOINDOLE-6-CARBOXYLIC ACID \| MFCD11109855 \| 1H-Indole-6-carboxylic acid, 3-bromo- \| SCHEMBL3879941 \| DTXSID50573895 \| XZNVEIYDUGPMCS-UHFFFAOYSA-N \| AMY25857 \| AKOS015903442 \| SB15318 \| AS-31482 \| SY006248 \| CS-0044446 \| FT-070
Specifications & Purity	≥96%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indolecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indolecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Indolecarboxylic acids
Alternative Parents	Indoles Substituted pyrroles Benzenoids Aryl bromides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indolecarboxylic acid - Indole - Aryl bromide - Aryl halide - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.
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	3-bromo-1H-indole-6-carboxylic acid
INCHI	InChI=1S/C9H6BrNO2/c10-7-4-11-8-3-5(9(12)13)1-2-6(7)8/h1-4,11H,(H,12,13)
InChIKey	XZNVEIYDUGPMCS-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1C(=O)O)NC=C2Br
Isomeric SMILES	C1=CC2=C(C=C1C(=O)O)NC=C2Br
Molecular Weight	240.1
Reaxy-Rn	14006615
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14006615&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	240.050 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	238.958 Da
Monoisotopic Mass	238.958 Da
Topological Polar Surface Area	53.100 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	222.000
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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