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3-Bromo-2-methoxybenzyl alcohol - ≥95%, high purity , CAS No.205873-57-0

COA

Grade & Purity:

≥95%

Cas Number: 205873-57-0
Molecular Weight: 217.06
PubChem CID: 17750316

In stock

Item Number

B728996

Grouped product items
SKU	Size	Availability	Price	Qty
B728996-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,088.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzyl alcohols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyl alcohols
Intermediate Tree Nodes	Not available
Direct Parent	Benzyl alcohols
Alternative Parents	Phenoxy compounds Methoxybenzenes Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Primary alcohols Organobromides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Benzyl alcohol - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Ether - Alcohol - Organohalogen compound - Organobromide - Organooxygen compound - Primary alcohol - Aromatic alcohol - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
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	(3-bromo-2-methoxyphenyl)methanol
INCHI	InChI=1S/C8H9BrO2/c1-11-8-6(5-10)3-2-4-7(8)9/h2-4,10H,5H2,1H3
InChIKey	VUMYHCICIPHSKN-UHFFFAOYSA-N
Smiles	COC1=C(C=CC=C1Br)CO
Isomeric SMILES	COC1=C(C=CC=C1Br)CO
PubChem CID	17750316
Molecular Weight	217.06

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	217.060 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	215.979 Da
Monoisotopic Mass	215.979 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	119.000
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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