8-nitro-3,4-dihydro-2H-1,4-benzoxazepin-5-one - ≥97% , CAS No.1022974-20-4

CAS: 1022974-20-4 Cat. No.: N681597 Peso molecular: 208.17 PubChem CID: 57853781

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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

Pureza

≥97%

Propiedades del producto

• ALogP: 0.8

Nombres e identificadores

• Sonrisas canónicas: C1COC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N1
• InChIKey: UXBRMBQHYAHMLD-UHFFFAOYSA-N
• INCHI: 1S/C9H8N2O4/c12-9-7-2-1-6(11(13)14)5-8(7)15-4-3-10-9/h1-2,5H,3-4H2,(H,10,12)
• Isómeros SMILES: C1COC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N1
• PubChem CID: 57853781
• Peso molecular: 208.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzoxazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzoxazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxazepines
• Alternative Parents: Nitroaromatic compounds Alkyl aryl ethers Benzenoids Secondary carboxylic acid amides Lactams Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxazepine - Nitroaromatic compound - Alkyl aryl ether - Benzenoid - Carboxamide group - Lactam - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic salt - Organic nitrogen compound - Organic zwitterion - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen atom).
• 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