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3-Chloro-5-cyclopropylmethoxyphenylboronic acid, pinacol ester - 96%, high purity , CAS No.1218789-44-6
Discover 3-Chloro-5-cyclopropylmethoxyphenylboronic acid, pinacol ester by Aladdin Scientific in 96% for only $200.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1218789-44-6 | 2-(3-Chloro-5-(cyclopropylmethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | 3-Chloro-5-cyclopropylmethoxyphenylboronic acid, pinacol ester | 2-[3-chloro-5-(cyclopropylmethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | 3-Chloro-5-cycl
Specifications & Purity
≥96%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol ethers
Alternative Parents
Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organometalloid compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Ether - Organooxygen compound - Hydrocarbon derivative - Organochloride - Organic metalloid moeity - Organic oxygen compound - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
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-[3-chloro-5-(cyclopropylmethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
INCHI
InChI=1S/C16H22BClO3/c1-15(2)16(3,4)21-17(20-15)12-7-13(18)9-14(8-12)19-10-11-5-6-11/h7-9,11H,5-6,10H2,1-4H3
InChIKey
BRDBIJOPFIVFBR-UHFFFAOYSA-N
Smiles
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)Cl)OCC3CC3
Isomeric SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)Cl)OCC3CC3
Molecular Weight
308.6
Reaxy-Rn
34899583
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34899583&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
308.600 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
308.135 Da
Monoisotopic Mass
308.135 Da
Topological Polar Surface Area
27.700 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
368.000
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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