4-PHENYL-1H-2,3-BENZOXAZIN-1-ONE , CAS No.19298-29-4

CAS: 19298-29-4 Cat. No.: P168249 Peso molecular: 223.233 Número EC: 661-663-5 PubChem CID: 262685

Synonyms

4-Phenyl-1H-2,3-benzoxazin-1-one|19298-29-4|4-phenyl-2,3-benzoxazin-1-one|K59Y1WNW5H|NSC96591|NSC 96591|UNII-K59Y1WNW5H|NSC-96591|4-phenylbenzo[d]1,2-oxazin-1-one|1H-2,3-Benzoxazin-1-one, 4-phenyl-|Maybridge1_003158|NCIOpen2_007047|Oprea1_692969|MLS001077

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-Phenyl-1H-2, 3-benzoxazin-1-one | 19298-29-4 | 4-phenyl-2, 3-benzoxazin-1-one | K59Y1WNW5H | NSC96591 | NSC 96591 | UNII-K59Y1WNW5H | NSC-96591 | 4-phenylbenzo[d]1, 2-oxazin-1-one | 1H-2, 3-Benzoxazin-1-one, 4-phenyl- | Maybridge1_003158 | NCIOpen2_007047 | Oprea1_692969 | MLS001077

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)C2=NOC(=O)C3=CC=CC=C32
• IUPAC Name: 4-phenyl-2,3-benzoxazin-1-one
• InChIKey: FUSZISDRVACNBS-UHFFFAOYSA-N
• INCHI: 1S/C14H9NO2/c16-14-12-9-5-4-8-11(12)13(15-17-14)10-6-2-1-3-7-10/h1-9H
• Isómeros SMILES: C1=CC=C(C=C1)C2=NOC(=O)C3=CC=CC=C32
• PubChem CID: 262685
• Peso molecular: 223.233

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzoxazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzoxazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxazines
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxazine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 223.230 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 223.063 Da
• Monoisotopic Mass: 223.063 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 331.000
• 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