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Methyl 3-(benzyloxy)-4-bromobenzoate - 98%, high purity , CAS No.17054-26-1

COA

Grade & Purity:

≥98%

Cas Number: 17054-26-1
Molecular Weight: 321.2
PubChem CID: 25306955

In stock

Item Number

M182023

Grouped product items
SKU	Size	Availability	Price
M182023-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$309.90
M182023-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,133.90
M182023-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,434.90

Discover Methyl 3-(benzyloxy)-4-bromobenzoate by Aladdin Scientific in 98% for only $309.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Methyl 3-(benzyloxy)-4-bromobenzoate \| 17054-26-1 \| methyl 4-bromo-3-phenylmethoxybenzoate \| METHYL 3-(BENZYLOXY)-4-BROMOBENZOATE 98 \| METHYL3-(BENZYLOXY)-4-BROMOBENZOATE \| SCHEMBL14914125 \| DTXSID80649552 \| TWPVBFXEQDHUPX-UHFFFAOYSA-N \| MFCD08436016 \| AKOS015839308 \| PS-704
Specifications & Purity	≥98%
Storage Temp	Room temperature
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	4-halobenzoic acids and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Bromobenzenes Alkyl aryl ethers Aryl bromides Methyl esters Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Halobenzene - Bromobenzene - Alkyl aryl ether - Aryl bromide - Aryl halide - Methyl ester - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxide - Hydrocarbon derivative - 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 4-bromo-3-phenylmethoxybenzoate
INCHI	InChI=1S/C15H13BrO3/c1-18-15(17)12-7-8-13(16)14(9-12)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKey	TWPVBFXEQDHUPX-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC(=C(C=C1)Br)OCC2=CC=CC=C2
Isomeric SMILES	COC(=O)C1=CC(=C(C=C1)Br)OCC2=CC=CC=C2
Molecular Weight	321.2
Reaxy-Rn	2869222
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2869222&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	321.160 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	320.005 Da
Monoisotopic Mass	320.005 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	289.000
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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