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3,6-Dimethoxylpyridazine-4-boronic acid - >98%, high purity , CAS No.1015480-87-1
Discover 3,6-Dimethoxylpyridazine-4-boronic acid by Aladdin Scientific in >98% for only $1,058.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1015480-87-1 | (3,6-dimethoxypyridazin-4-yl)boronic acid | 3,6-Dimethoxylpyridazine-4-boronic acid | 3,6-dimethoxypyridazin-4-ylboronic acid | 3,6-dimethoxypyridazin-4-ylboronate | 3,6-Dimethoxypyridazine-4-boronic acid | SCHEMBL520761 | DTXSID40674906 | ZMMDVCDFKFTXIC-U
Specifications & Purity
≥98%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Not available
Direct Parent
Alkyl aryl ethers
Alternative Parents
Pyridazines and derivatives Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl aryl ether - Pyridazine - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic metalloid moeity - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
(3,6-dimethoxypyridazin-4-yl)boronic acid
INCHI
InChI=1S/C6H9BN2O4/c1-12-5-3-4(7(10)11)6(13-2)9-8-5/h3,10-11H,1-2H3
InChIKey
ZMMDVCDFKFTXIC-UHFFFAOYSA-N
Smiles
B(C1=CC(=NN=C1OC)OC)(O)O
Isomeric SMILES
B(C1=CC(=NN=C1OC)OC)(O)O
Molecular Weight
183.96
Reaxy-Rn
15825536
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15825536&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
183.960 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
3
Exact Mass
184.066 Da
Monoisotopic Mass
184.066 Da
Topological Polar Surface Area
84.700 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
160.000
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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