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4-bromo-1H-indole-7-carboxylic acid - 97%, high purity , CAS No.1211594-25-0

COA

Grade & Purity:

≥97%

Cas Number: 1211594-25-0
Molecular Weight: 240.06
PubChem CID: 59267539

In stock

Item Number

B627435

Grouped product items
SKU	Size	Availability	Price
B627435-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$101.90
B627435-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$161.90
B627435-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$269.90
B627435-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$404.90
B627435-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,026.90

Basic Description

Synonyms	1H-Indole-7-carboxylic acid, 4-bromo- \| 4-Bromo-1H-indole-7-carboxylic acid \| FT-0768155 \| SB15149 \| A931158 \| CDTILRQKJWYBOM-UHFFFAOYSA-N \| 1211594-25-0 \| MFCD12547329 \| EN300-127190 \| O11164 \| Z1269130368 \| SCHEMBL2382490 \| SY047517 \| DS-5894 \| 4-Bromoi
Specifications & Purity	≥97%
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	4-halobenzoic acids Indoles Aryl bromides Vinylogous amides Pyrroles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	4-halobenzoic acid or derivatives - 4-halobenzoic acid - Halobenzoic acid - Indole - Indole or derivatives - Aryl bromide - Aryl halide - Pyrrole - Heteroaromatic compound - Vinylogous amide - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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	4-bromo-1H-indole-7-carboxylic acid
INCHI	InChI=1S/C9H6BrNO2/c10-7-2-1-6(9(12)13)8-5(7)3-4-11-8/h1-4,11H,(H,12,13)
InChIKey	CDTILRQKJWYBOM-UHFFFAOYSA-N
Smiles	C1=CC(=C2C=CNC2=C1C(=O)O)Br
Isomeric SMILES	C1=CC(=C2C=CNC2=C1C(=O)O)Br
Alternate CAS	1211594-25-0
PubChem CID	59267539
Molecular Weight	240.06

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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