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Methyl 2-bromo-3-formylbenzoate - ≥95%, high purity , CAS No.750585-94-5

COA

Grade & Purity:

≥95%

Cas Number: 750585-94-5
Molecular Weight: 243.05
MDL number: MFCD11110489
PubChem CID: 66510816

In stock

Item Number

M769864

Grouped product items
SKU	Size	Availability	Price	Qty
M769864-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,094.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

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 Benzoyl derivatives Benzaldehydes Bromobenzenes Aryl bromides Vinylogous halides Methyl esters Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzaldehyde - Benzoyl - Bromobenzene - Halobenzene - Aryl-aldehyde - Aryl halide - Aryl bromide - Vinylogous halide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen 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-bromo-3-formylbenzoate
INCHI	InChI=1S/C9H7BrO3/c1-13-9(12)7-4-2-3-6(5-11)8(7)10/h2-5H,1H3
InChIKey	CNQNIZZOOUMRHI-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC=CC(=C1Br)C=O
Isomeric SMILES	COC(=O)C1=CC=CC(=C1Br)C=O
PubChem CID	66510816
Molecular Weight	243.05

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	243.050 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	241.958 Da
Monoisotopic Mass	241.958 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	205.000
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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