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5-(4-Chlorophenyl)nicotinic acid - 97%, high purity , CAS No.187999-33-3

COA

Grade & Purity:

≥97%

Cas Number: 187999-33-3
Molecular Weight: 233.7
PubChem CID: 20099620

In stock

Item Number

C182355

Grouped product items
SKU	Size	Availability	Price	Qty
C182355-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$180.90
C182355-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$526.90

Discover 5-(4-Chlorophenyl)nicotinic acid by Aladdin Scientific in 97% for only $180.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	5-(4-Chlorophenyl)nicotinic acid \| 187999-33-3 \| 5-(4-chlorophenyl)pyridine-3-carboxylic acid \| MFCD06410266 \| 3-Pyridinecarboxylic acid, 5-(4-chlorophenyl)- \| 5-(4-Chlorophenyl)nicotinicAcid \| SCHEMBL1840398 \| DTXSID60602382 \| AMY20359 \| AKOS004117427 \| AB24256 \| AC-23650 \| AS-
Specifications & Purity	≥97%
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	Pyridinecarboxylic acids Chlorobenzenes Aryl chlorides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3-phenylpyridine - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organochloride - Organonitrogen 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	5-(4-chlorophenyl)pyridine-3-carboxylic acid
INCHI	InChI=1S/C12H8ClNO2/c13-11-3-1-8(2-4-11)9-5-10(12(15)16)7-14-6-9/h1-7H,(H,15,16)
InChIKey	BYZIYNPOAGZGJW-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C2=CC(=CN=C2)C(=O)O)Cl
Isomeric SMILES	C1=CC(=CC=C1C2=CC(=CN=C2)C(=O)O)Cl
Molecular Weight	233.7
Reaxy-Rn	20933766
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20933766&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	233.650 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	233.024 Da
Monoisotopic Mass	233.024 Da
Topological Polar Surface Area	50.200 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	251.000
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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