3-Bromo-5-morpholinophenylboronic acid - ≥96% , CAS No.1256355-10-8

CAS: 1256355-10-8 Cat. No.: B180658 Formula: C₁₀H₁₃BBrNO₃ Peso molecolare: 285.9

GRADE & PURITY ≥96%

Synonyms

(3-Bromo-5-morpholinophenyl)boronicacid | 1256355-10-8 | [3-Bromo-5-(morpholin-4-yl)phenyl]boronic acid | BS-19793 | (3-bromo-5-morpholino-phenyl)boronic acid | (3-Bromo-5-morpholinophenyl)boronic acid | MFCD17214250 | UWNLKBOIZQUEHF-UHFFFAOYSA-N | (3-bro

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

(3-Bromo-5-morpholinophenyl)boronicacid | 1256355-10-8 | [3-Bromo-5-(morpholin-4-yl)phenyl]boronic acid | BS-19793 | (3-bromo-5-morpholino-phenyl)boronic acid | (3-Bromo-5-morpholinophenyl)boronic acid | MFCD17214250 | UWNLKBOIZQUEHF-UHFFFAOYSA-N | (3-bro

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥96%

Nomi e identificatori

• Sorrisi canonici: B(C1=CC(=CC(=C1)Br)N2CCOCC2)(O)O
• IUPAC Name: (3-bromo-5-morpholin-4-ylphenyl)boronic acid
• InChIKey: UWNLKBOIZQUEHF-UHFFFAOYSA-N
• INCHI: 1S/C10H13BBrNO3/c12-9-5-8(11(14)15)6-10(7-9)13-1-3-16-4-2-13/h5-7,14-15H,1-4H2
• Isomeri SMILES: B(C1=CC(=CC(=C1)Br)N2CCOCC2)(O)O
• Peso molecolare: 285.9
• Reaxy-Rn: 33259604
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33259604&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Bromobenzenes Aryl bromides Boronic acids Oxacyclic compounds Organic metalloid salts Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organometalloid compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Bromobenzene - Halobenzene - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Tertiary amine - Boronic acid derivative - Boronic acid - Organic metalloid salt - Oxacycle - Azacycle - Dialkyl ether - Ether - Hydrocarbon derivative - Organohalogen compound - Organic metalloid moeity - Amine - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 285.930 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 285.017 Da
• Monoisotopic Mass: 285.017 Da
• Topological Polar Surface Area: 52.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 226.000
• 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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