(3-Bromophenoxy)tri(propan-2-yl)silane - ≥97% , CAS No.571202-87-4

CAS: 571202-87-4 Cat. No.: B1312947 Molecular Weight: 329.35 PubChem CID: 22605976

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)[Si](C(C)C)(C(C)C)OC1=CC(=CC=C1)Br
• IUPAC Name: (3-bromophenoxy)-tri(propan-2-yl)silane
• InChIKey: YOSBXSDNMZXREZ-UHFFFAOYSA-N
• INCHI: 1S/C15H25BrOSi/c1-11(2)18(12(3)4,13(5)6)17-15-9-7-8-14(16)10-15/h7-13H,1-6H3
• Isomeric SMILES: CC(C)[Si](C(C)C)(C(C)C)OC1=CC(=CC=C1)Br
• PubChem CID: 22605976
• Molecular Weight: 329.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenoxy compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenoxy compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxy compounds
• Alternative Parents: Bromobenzenes Aryl bromides Trialkylheterosilanes Organic metalloid salts Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Trialkylheterosilane - Organoheterosilane - Organic metalloid salt - Organobromide - Organic metalloid moeity - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organosilicon compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 329.350 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 328.086 Da
• Monoisotopic Mass: 328.086 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 231.000
• 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

XLogP3