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2-Amino-3，4-dichlorobenzoic acid - ≥95%, high purity , CAS No.20776-62-9

COA

Grade & Purity:

≥95%

Cas Number: 20776-62-9
Molecular Weight: 206.02
PubChem CID: 4339585

In stock

Item Number

A709148

Grouped product items
SKU	Size	Availability	Price
A709148-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$204.90
A709148-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$307.90
A709148-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$740.90
A709148-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,855.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Benzoic acids
Direct Parent	Dichlorobenzoic acids
Alternative Parents	3-halobenzoic acids 4-halobenzoic acids Aminobenzoic acids Halobenzoic acids Aniline and substituted anilines Benzoyl derivatives Dichlorobenzenes Aryl chlorides Vinylogous amides Amino acids Carboxylic acids Primary amines Organooxygen compounds Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	3,4-dichlorobenzoic acid - Aminobenzoic acid - Aminobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - 4-halobenzoic acid - 1,2-dichlorobenzene - Benzoyl - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Vinylogous amide - Amino acid - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organonitrogen compound - Organic nitrogen compound - Amine - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dichlorobenzoic acids. These are benzoic acids having two chlorine atoms attached to the carboxylated 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-amino-3,4-dichlorobenzoic acid
INCHI	InChI=1S/C7H5Cl2NO2/c8-4-2-1-3(7(11)12)6(10)5(4)9/h1-2H,10H2,(H,11,12)
InChIKey	LMFCCMCEVBFNHS-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1C(=O)O)N)Cl)Cl
Isomeric SMILES	C1=CC(=C(C(=C1C(=O)O)N)Cl)Cl
PubChem CID	4339585
Molecular Weight	206.02

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	206.020 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	204.97 Da
Monoisotopic Mass	204.97 Da
Topological Polar Surface Area	63.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	188.000
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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