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5-Acetamido-2-methylphenylboronic acid - 98%, high purity , CAS No.1060661-55-3
Discover 5-Acetamido-2-methylphenylboronic acid by Aladdin Scientific in 98% for only $1,395.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1060661-55-3 | (5-Acetamido-2-methylphenyl)boronic acid | 5-Acetamido-2-methylphenylboronic acid | (5-Acetamido-2-methylphenyl)boronicacid | SCHEMBL3323005 | DTXSID30441028 | MFCD11053867 | AKOS006308402 | BS-25731 | CS-0174864 | F86459 | A895903
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Anilides
Intermediate Tree Nodes
Not available
Direct Parent
Acetanilides
Alternative Parents
N-acetylarylamines Toluenes Acetamides Secondary carboxylic acid amides Boronic acids Organic metalloid salts Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Acetanilide - N-acetylarylamine - N-arylamide - Toluene - Acetamide - Boronic acid derivative - Boronic acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic metalloid salt - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group.
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
(5-acetamido-2-methylphenyl)boronic acid
INCHI
InChI=1S/C9H12BNO3/c1-6-3-4-8(11-7(2)12)5-9(6)10(13)14/h3-5,13-14H,1-2H3,(H,11,12)
InChIKey
YJBSHDWYEWWMNT-UHFFFAOYSA-N
Smiles
B(C1=C(C=CC(=C1)NC(=O)C)C)(O)O
Isomeric SMILES
B(C1=C(C=CC(=C1)NC(=O)C)C)(O)O
Molecular Weight
193
Reaxy-Rn
37869865
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37869865&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
193.010 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
193.091 Da
Monoisotopic Mass
193.091 Da
Topological Polar Surface Area
69.600 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
210.000
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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