3-Bromo-5-fluoro-2-hydroxybenzonitrile - ≥95% , CAS No.28165-66-4

CAS: 28165-66-4 Cat. No.: B1327002 Formula: C₇H₃BrFNO Peso molecolare: 216.01 PubChem CID: 23148942

QUALITÀ & PUREZZA ≥95%

Storage

Room temperature

Shipped In

Normal

Specifiche

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

C1=C(C=C(C(=C1C#N)O)Br)F

IUPAC Name

3-bromo-5-fluoro-2-hydroxybenzonitrile

InChIKey

GIXOWHHWTQZRST-UHFFFAOYSA-N

INCHI

1S/C7H3BrFNO/c8-6-2-5(9)1-4(3-10)7(6)11/h1-2,11H

Isomeri SMILES

C1=C(C=C(C(=C1C#N)O)Br)F

PubChem CID

23148942

Peso molecolare

216.01

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzonitriles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: P-fluorophenols O-bromophenols Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Nitriles Organooxygen compounds Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzonitrile - 4-halophenol - 2-halophenol - 2-bromophenol - 4-fluorophenol - Phenol - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Nitrile - Carbonitrile - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• 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: 216.010 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 214.938 Da
• Monoisotopic Mass: 214.938 Da
• Topological Polar Surface Area: 44.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 190.000
• 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