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3-Butoxy-5-chlorophenylboronic acid - 96%, high purity , CAS No.1256345-75-1
Discover 3-Butoxy-5-chlorophenylboronic acid by Aladdin Scientific in 96% for only $63.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
(3-Butoxy-5-chlorophenyl)boronic acid | 1256345-75-1 | 3-BUTOXY-5-CHLOROPHENYLBORONIC ACID | (3-Butoxy-5-chlorophenyl)boronicacid | DTXSID50681560 | MFCD16660282 | AKOS015839744 | BS-19753 | CS-0174371 | Boronic acid, B-(3-butoxy-5-chlorophenyl)-
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 Boronic acids Organic metalloid salts Organometalloid compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Ether - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic metalloid moeity - Organochloride - Organooxygen compound - Aromatic homomonocyclic 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
(3-butoxy-5-chlorophenyl)boronic acid
INCHI
InChI=1S/C10H14BClO3/c1-2-3-4-15-10-6-8(11(13)14)5-9(12)7-10/h5-7,13-14H,2-4H2,1H3
InChIKey
SQCIQINFZZBGET-UHFFFAOYSA-N
Smiles
B(C1=CC(=CC(=C1)Cl)OCCCC)(O)O
Isomeric SMILES
B(C1=CC(=CC(=C1)Cl)OCCCC)(O)O
PubChem CID
53216312
Molecular Weight
228.5
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
228.480 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
5
Exact Mass
228.072 Da
Monoisotopic Mass
228.072 Da
Topological Polar Surface Area
49.700 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
180.000
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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