7-Bromobenzo[d]oxazole - ≥95% , CAS No.885270-14-4

CAS: 885270-14-4 Cat. No.: B195547 Peso molecular: 198.02 Número EC: 838-876-9

GRADE & PURITY ≥95%

Synonyms

DTXSID80696304 | Benzoxazole, 7-bromo | EN300-203450 | SCHEMBL3231956 | 7-bromo-1,3-benzoxazole | 7-bromobenzo[d]oxazole | 7-BROMOBENZOXAZOLE | MFCD08234619 | FT-0660720 | MB05566 | SY018760 | FS-3724 | A846651 | AM20041307 | 7-bromobenzooxazole | 7-BROMO

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

DTXSID80696304 | Benzoxazole, 7-bromo | EN300-203450 | SCHEMBL3231956 | 7-bromo-1, 3-benzoxazole | 7-bromobenzo[d]oxazole | 7-BROMOBENZOXAZOLE | MFCD08234619 | FT-0660720 | MB05566 | SY018760 | FS-3724 | A846651 | AM20041307 | 7-bromobenzooxazole | 7-BROMO

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504771224
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771224
• Sonrisas canónicas: C1=CC2=C(C(=C1)Br)OC=N2
• IUPAC Name: 7-bromo-1,3-benzoxazole
• InChIKey: IGYSQBXPJOGYML-UHFFFAOYSA-N
• INCHI: 1S/C7H4BrNO/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H
• Isómeros SMILES: C1=CC2=C(C(=C1)Br)OC=N2
• Peso molecular: 198.02
• Reaxy-Rn: 24091629
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24091629&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzoxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzoxazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxazoles
• Alternative Parents: Benzenoids Aryl bromides Oxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxazole - Aryl bromide - Aryl halide - Benzenoid - Azole - Oxazole - Heteroaromatic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively.
• 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

Propiedades químicas y físicas

• Peso molecular: 198.020 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 196.948 Da
• Monoisotopic Mass: 196.948 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 131.000
• 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