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(E)-(3-Chlorostyryl)boronic acid（contains varying amounts of Anhydride） - 97%, high purity , CAS No.1258237-13-6
Basic Description
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Styrenes
Intermediate Tree Nodes
Not available
Direct Parent
Styrenes
Alternative Parents
Chlorobenzenes Aryl chlorides Boronic acids Organic metalloid salts Organometalloid compounds Organochlorides Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Styrene - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organochloride - Organic metalloid moeity - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
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
[(E)-2-(3-chlorophenyl)ethenyl]boronic acid
INCHI
InChI=1S/C8H8BClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,11-12H/b5-4+
InChIKey
GJVFZKMQTVCZFF-SNAWJCMRSA-N
Smiles
B(C=CC1=CC(=CC=C1)Cl)(O)O
Isomeric SMILES
B(/C=C/C1=CC(=CC=C1)Cl)(O)O
Alternate CAS
214907-21-8
Molecular Weight
182.41
Reaxy-Rn
32681314
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32681314&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
182.410 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
182.031 Da
Monoisotopic Mass
182.031 Da
Topological Polar Surface Area
40.500 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
161.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
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A2426297