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3-(6-Bromopyridin-2-yl)benzoic acid - 95%, high purity , CAS No.914349-44-3

COA

Grade & Purity:

≥95%

Cas Number: 914349-44-3
Molecular Weight: 278.1
PubChem CID: 40428570

In stock

Item Number

B188189

Grouped product items
SKU	Size	Availability	Price	Qty
B188189-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$166.90
B188189-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$692.90

Basic Description

Synonyms	3-(6-Bromopyridin-2-yl)benzoic acid \| 914349-44-3 \| 3-(6-Bromo-pyridin-2-yl)-benzoic acid \| 3-(6-Bromo-pyridin-2-yl)-benzoicacid \| 3-(6-bromo-2-pyridinyl)benzoic acid \| DTXSID60654346 \| 3-(6-Bromopyridin-2-yl)benzoicacid \| MFCD05864809 \| AKOS015835968 \| FG-0447 \| AM807801 \| CS
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Phenylpyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Phenylpyridines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyridines
Alternative Parents	Benzoic acids Benzoyl derivatives 2-halopyridines Aryl bromides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-phenylpyridine - Benzoic acid or derivatives - Benzoic acid - Benzoyl - 2-halopyridine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
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-(6-bromopyridin-2-yl)benzoic acid
INCHI	InChI=1S/C12H8BrNO2/c13-11-6-2-5-10(14-11)8-3-1-4-9(7-8)12(15)16/h1-7H,(H,15,16)
InChIKey	ZDYRWCJTVMPARL-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)C(=O)O)C2=NC(=CC=C2)Br
Isomeric SMILES	C1=CC(=CC(=C1)C(=O)O)C2=NC(=CC=C2)Br
PubChem CID	40428570
Molecular Weight	278.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	278.100 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	276.974 Da
Monoisotopic Mass	276.974 Da
Topological Polar Surface Area	50.200 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	259.000
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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