4-(Benzyloxy)-2-bromophenol - ≥95% , CAS No.79352-66-2

CAS: 79352-66-2 Cat. No.: B725331 Formula: C₁₃H₁₁BrO₂ Peso molecolare: 279.13 PubChem CID: 10978807

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: C1=CC=C(C=C1)COC2=CC(=C(C=C2)O)Br
• IUPAC Name: 2-bromo-4-phenylmethoxyphenol
• InChIKey: HIGLPWLKZYKDNL-UHFFFAOYSA-N
• INCHI: 1S/C13H11BrO2/c14-12-8-11(6-7-13(12)15)16-9-10-4-2-1-3-5-10/h1-8,15H,9H2
• Isomeri SMILES: C1=CC=C(C=C1)COC2=CC(=C(C=C2)O)Br
• PubChem CID: 10978807
• Peso molecolare: 279.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass 4-alkoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: 4-alkoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-alkoxyphenols
• Alternative Parents: Phenoxy compounds Phenol ethers O-bromophenols Bromobenzenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-alkoxyphenol - 2-halophenol - 2-bromophenol - Phenol ether - Phenoxy compound - Alkyl aryl ether - Halobenzene - Bromobenzene - 1-hydroxy-2-unsubstituted benzenoid - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Ether - Organooxygen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 4-alkoxyphenols. These are phenols that carry an alkoxy group at the 4-position of the 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

Proprietà chimiche e fisiche

• Peso molecolare: 279.130 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 277.994 Da
• Monoisotopic Mass: 277.994 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 204.000
• 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