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2-(2-Chloro-4-nitrophenoxy)acetic acid - ≥95%, high purity , CAS No.5037-04-7

COA

Grade & Purity:

≥95%

Cas Number: 5037-04-7
Molecular Weight: 231.59
PubChem CID: 276442

In stock

Item Number

A697060

Grouped product items
SKU	Size	Availability	Price
A697060-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$26.90
A697060-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$130.90
A697060-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$565.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenoxyacetic acid derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenoxyacetic acid derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Chlorophenoxyacetates
Alternative Parents	Nitrophenyl ethers Nitroaromatic compounds Phenoxy compounds Phenol ethers Alkyl aryl ethers Chlorobenzenes Aryl chlorides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organochlorides Organonitrogen compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Chlorophenoxyacetate - Nitrophenyl ether - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as chlorophenoxyacetates. These are compounds containing a phenoxyacetate that carries one or more chlorine atoms 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	2-(2-chloro-4-nitrophenoxy)acetic acid
INCHI	InChI=1S/C8H6ClNO5/c9-6-3-5(10(13)14)1-2-7(6)15-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey	FYZKTYNLLVGHSM-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1[N+](=O)[O-])Cl)OCC(=O)O
Isomeric SMILES	C1=CC(=C(C=C1[N+](=O)[O-])Cl)OCC(=O)O
PubChem CID	276442
Molecular Weight	231.59

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	231.590 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	230.993 Da
Monoisotopic Mass	230.993 Da
Topological Polar Surface Area	92.400 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	254.000
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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