9-bromo-2-iodo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine - ≥97% , CAS No.1282516-69-1

CAS: 1282516-69-1 Cat. No.: B628090 Peso molecular: 391.00

GRADE & PURITY ≥97%

Synonyms

MFCD22690733 | SMHDMAYAZJZZHS-UHFFFAOYSA-N | 12-bromo-4-iodo-9-oxa-3,6-diazatricyclo[8.4.0.02,6]tetradeca 1(14),2,4,10,12-pentaene | AKOS024462946 | FT-0767475 | Imidazo[1,2-d][1,4]benzoxazepine, 9-bromo-5,6-dihydro-2-iodo- | 9-bromo-2-iodo-5,6-dihydroimi

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

MFCD22690733 | SMHDMAYAZJZZHS-UHFFFAOYSA-N | 12-bromo-4-iodo-9-oxa-3, 6-diazatricyclo[8.4.0.02, 6]tetradeca 1(14), 2, 4, 10, 12-pentaene | AKOS024462946 | FT-0767475 | Imidazo[1, 2-d][1, 4]benzoxazepine, 9-bromo-5, 6-dihydro-2-iodo- | 9-bromo-2-iodo-5, 6-dihydroimi

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1COC2=C(C=CC(=C2)Br)C3=NC(=CN31)I
• IUPAC Name: 9-bromo-2-iodo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
• InChIKey: SMHDMAYAZJZZHS-UHFFFAOYSA-N
• INCHI: 1S/C11H8BrIN2O/c12-7-1-2-8-9(5-7)16-4-3-15-6-10(13)14-11(8)15/h1-2,5-6H,3-4H2
• Isómeros SMILES: C1COC2=C(C=CC(=C2)Br)C3=NC(=CN31)I
• CAS alternativo: 1282516-69-1
• Peso molecular: 391.00

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: N-substituted imidazoles Benzenoids Aryl iodides Aryl bromides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl aryl ether - Aryl bromide - Aryl halide - Aryl iodide - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organoiodide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl 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

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Peso molecular: 391.000 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 389.886 Da
• Monoisotopic Mass: 389.886 Da
• Topological Polar Surface Area: 27.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 268.000
• 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