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5-Bromo-1H-indole-7-carboxylic acid - 97%, high purity , CAS No.860624-90-4

COA

Grade & Purity:

≥97%

Cas Number: 860624-90-4
Molecular Weight: 240.05
PubChem CID: 53399257

In stock

Item Number

B195375

Grouped product items
SKU	Size	Availability	Price	Qty
B195375-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
B195375-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$57.90

Discover 5-Bromo-1H-indole-7-carboxylic acid by Aladdin Scientific in 97% for only $13.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	5-Bromo-1H-indole-7-carboxylic acid \| 860624-90-4 \| MFCD11845481 \| 1H-Indole-7-carboxylic acid, 5-bromo- \| 5-Bromo indole-7-carboxylic acid \| 5-Bromo-1H-indole-7-carboxylicacid \| SCHEMBL552639 \| DTXSID10694595 \| VZYDZTIPNOBVNC-UHFFFAOYSA-N \| AMY24404 \| AKOS016000666 \| CS-W0052
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Halobenzoic acids and derivatives
        Level6 Halobenzoic acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Halobenzoic acids and derivatives
Direct Parent	Halobenzoic acids
Alternative Parents	3-halobenzoic acids Indoles Aryl bromides Vinylogous amides Pyrroles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	3-halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Indole - Indole or derivatives - Aryl halide - Aryl bromide - Heteroaromatic compound - Vinylogous amide - Pyrrole - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene 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	5-bromo-1H-indole-7-carboxylic acid
INCHI	InChI=1S/C9H6BrNO2/c10-6-3-5-1-2-11-8(5)7(4-6)9(12)13/h1-4,11H,(H,12,13)
InChIKey	VZYDZTIPNOBVNC-UHFFFAOYSA-N
Smiles	C1=CNC2=C(C=C(C=C21)Br)C(=O)O
Isomeric SMILES	C1=CNC2=C(C=C(C=C21)Br)C(=O)O
Molecular Weight	240.05
Reaxy-Rn	15696526
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15696526&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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