N-(3-Bromopropyl) 3-boronobenzamide - ≥97% , CAS No.850567-42-9

CAS: 850567-42-9 Cat. No.: N187004 Peso molecular: 285.9 PubChem CID: 44119140

GRADE & PURITY ≥97%

Synonyms

[3-(3-bromopropylcarbamoyl)phenyl]boronic acid | H11824 | 3-(3-bromopropylcarbamoyl)phenylboronic acid | BS-24176 | {3-[(3-Bromopropyl)carbamoyl]phenyl}boronic acid | (3-((3-Bromopropyl)carbamoyl)phenyl)boronicacid | A863772 | AKOS015833611 | N-(3-Bromopr

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

[3-(3-bromopropylcarbamoyl)phenyl]boronic acid | H11824 | 3-(3-bromopropylcarbamoyl)phenylboronic acid | BS-24176 | {3-[(3-Bromopropyl)carbamoyl]phenyl}boronic acid | (3-((3-Bromopropyl)carbamoyl)phenyl)boronicacid | A863772 | AKOS015833611 | N-(3-Bromopr

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: B(C1=CC(=CC=C1)C(=O)NCCCBr)(O)O
• IUPAC Name: [3-(3-bromopropylcarbamoyl)phenyl]boronic acid
• InChIKey: UCDZSVDQSVCTSO-UHFFFAOYSA-N
• INCHI: 1S/C10H13BBrNO3/c12-5-2-6-13-10(14)8-3-1-4-9(7-8)11(15)16/h1,3-4,7,15-16H,2,5-6H2,(H,13,14)
• Isómeros SMILES: B(C1=CC(=CC=C1)C(=O)NCCCBr)(O)O
• PubChem CID: 44119140
• Peso molecular: 285.9

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Benzoyl derivatives Secondary carboxylic acid amides Boronic acids Organic metalloid salts Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzamide - Benzoyl - Boronic acid derivative - Boronic acid - Carboxamide group - Secondary carboxylic acid amide - Organic metalloid salt - Carboxylic acid derivative - Organobromide - Organic metalloid moeity - Organohalogen compound - Alkyl halide - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Sensibilidad: Light sensitive
• Punto de fusión (°C): 97-99°C
• Peso molecular: 285.930 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 285.017 Da
• Monoisotopic Mass: 285.017 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 228.000
• 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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