3-(3-bromophenyl)oxetane - ≥97% , CAS No.1044507-52-9

CAS: 1044507-52-9 Cat. No.: B171799 Formule: C₉H₉BrO Poids moléculaire: 213.074 Numéro CE: 891-629-7

GRADE & PURITY ≥97%

Synonyms

AS-32755 | IKNHAXGIHOUCCX-UHFFFAOYSA-N | AKOS025290129 | DTXSID90703912 | EN300-366596 | PB34845 | A896229 | FT-0756633 | 3-(3-Bromophenyl)oxetane | 3-(3-Bromo-phenyl)-oxetane | MFCD17012864 | 1044507-52-9 | AM85460 | SCHEMBL1810741

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

AS-32755 | IKNHAXGIHOUCCX-UHFFFAOYSA-N | AKOS025290129 | DTXSID90703912 | EN300-366596 | PB34845 | A896229 | FT-0756633 | 3-(3-Bromophenyl)oxetane | 3-(3-Bromo-phenyl)-oxetane | MFCD17012864 | 1044507-52-9 | AM85460 | SCHEMBL1810741

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: C1C(CO1)C2=CC(=CC=C2)Br
• IUPAC Name: 3-(3-bromophenyl)oxetane
• InChIKey: IKNHAXGIHOUCCX-UHFFFAOYSA-N
• INCHI: 1S/C9H9BrO/c10-9-3-1-2-7(4-9)8-5-11-6-8/h1-4,8H,5-6H2
• Isomères SMILES: C1C(CO1)C2=CC(=CC=C2)Br
• Poids moléculaire: 213.074
• Reaxy-Rn: 19002801
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19002801&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Oxetanes Oxacyclic compounds Dialkyl ethers Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bromobenzene - Aryl halide - Aryl bromide - Oxetane - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom 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

Propriétés chimiques et physiques

• Poids moléculaire: 213.070 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 211.984 Da
• Monoisotopic Mass: 211.984 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 134.000
• 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