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4-(3-Cyanophenylmethoxy)phenylboronic acid - 95%, high purity , CAS No.1256355-78-8
Discover 4-(3-Cyanophenylmethoxy)phenylboronic acid by Aladdin Scientific in 95% for only $3,578.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1256355-78-8 | (4-((3-Cyanobenzyl)oxy)phenyl)boronic acid | 4-(3-CYANOPHENYLMETHOXY)PHENYLBORONIC ACID | [4-[(3-cyanophenyl)methoxy]phenyl]boronic acid | {4-[(3-Cyanophenyl)methoxy]phenyl}boronic acid | (4-((3-Cyanobenzyl)oxy)phenyl)boronicacid | SCHEMBL2555779 | DTXSI
Specifications & Purity
≥95%
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 Benzonitriles Alkyl aryl ethers Boronic acids Organic metalloid salts Nitriles Organometalloid compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Boronic acid derivative - Boronic acid - Organic metalloid salt - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organic metalloid moeity - Organonitrogen compound - 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
[4-[(3-cyanophenyl)methoxy]phenyl]boronic acid
INCHI
InChI=1S/C14H12BNO3/c16-9-11-2-1-3-12(8-11)10-19-14-6-4-13(5-7-14)15(17)18/h1-8,17-18H,10H2
InChIKey
WXDTXGCOBVDLQR-UHFFFAOYSA-N
Smiles
B(C1=CC=C(C=C1)OCC2=CC(=CC=C2)C#N)(O)O
Isomeric SMILES
B(C1=CC=C(C=C1)OCC2=CC(=CC=C2)C#N)(O)O
PubChem CID
43327864
Molecular Weight
253.1
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
253.060 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
253.091 Da
Monoisotopic Mass
253.091 Da
Topological Polar Surface Area
73.500 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
320.000
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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