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Methyl 2-amino-4-bromo-6-fluorobenzoate - ≥98%, high purity , CAS No.1698028-23-7

COA

Grade & Purity:

≥98%

Cas Number: 1698028-23-7
Molecular Weight: 248.05
MDL number: MFCD28657035
PubChem CID: 92133872

In stock

Item Number

M770336

Grouped product items
SKU	Size	Availability	Price
M770336-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$83.90
M770336-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$208.90
M770336-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$693.90
M770336-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,218.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Protected from light,Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acid esters
Alternative Parents	2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Aminobenzoic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Bromobenzenes Fluorobenzenes Aryl fluorides Aryl bromides Methyl esters Vinylogous amides Vinylogous halides Amino acids and derivatives Hydrocarbon derivatives Organofluorides Organooxygen compounds Primary amines Organic oxides Organobromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminobenzoic acid or derivatives - Benzoate ester - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - Bromobenzene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Aryl bromide - Vinylogous amide - Vinylogous halide - Methyl ester - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Organohalogen compound - Organic oxide - Organooxygen compound - Primary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organobromide - Organofluoride - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
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	methyl 2-amino-4-bromo-6-fluorobenzoate
INCHI	InChI=1S/C8H7BrFNO2/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3H,11H2,1H3
InChIKey	RBMIFLUDJHVUDS-UHFFFAOYSA-N
Smiles	COC(=O)C1=C(C=C(C=C1F)Br)N
Isomeric SMILES	COC(=O)C1=C(C=C(C=C1F)Br)N
PubChem CID	92133872
Molecular Weight	248.05

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	248.050 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	246.964 Da
Monoisotopic Mass	246.964 Da
Topological Polar Surface Area	52.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	203.000
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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