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2,6-Dibromo-3-methoxyphenylboronic acid - 97%, high purity , CAS No.850567-93-0
Discover 2,6-Dibromo-3-methoxyphenylboronic acid by Aladdin Scientific in 97% for only $1,302.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2,6-Dibromo-3-methoxyphenylboronic acid | 850567-93-0 | (2,6-Dibromo-3-methoxyphenyl)boronic acid | (2,6-Dibromo-5-methoxy)benzeneboronic acid | 2,6-DIBROMO-3-METHOXYBENZENEBORONIC ACID | (2,6-DIBROMO-5-METHOXY)BENZENEBORONICACID | SCHEMBL13125399 | DTXSID40656863 | MFCD
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Anisoles
Intermediate Tree Nodes
Not available
Direct Parent
Anisoles
Alternative Parents
Phenoxy compounds Methoxybenzenes Bromobenzenes Alkyl aryl ethers Aryl bromides Boronic acids Organic metalloid salts Organometalloid compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Ether - Organic metalloid salt - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic metalloid moeity - Organobromide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
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
(2,6-dibromo-3-methoxyphenyl)boronic acid
INCHI
InChI=1S/C7H7BBr2O3/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3,11-12H,1H3
InChIKey
CCRLWBYZCYCUAK-UHFFFAOYSA-N
Smiles
B(C1=C(C=CC(=C1Br)OC)Br)(O)O
Isomeric SMILES
B(C1=C(C=CC(=C1Br)OC)Br)(O)O
Molecular Weight
309.7
Reaxy-Rn
26979691
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26979691&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
309.750 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
309.883 Da
Monoisotopic Mass
307.885 Da
Topological Polar Surface Area
49.700 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
170.000
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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