5,7-Dinitrooxindole - ≥98% , CAS No.30490-21-2

CAS: 30490-21-2 Cat. No.: D183562 Formula: C₈H₅N₃O₅ Peso molecolare: 223.14

GRADE & PURITY ≥98%

Synonyms

5,7-Dinitrooxindole | AB11406 | 5,7-DINITRO-1,3-DIHYDRO-INDOL-2-ONE | 5,7-dinitro-1,3-dihydroindol-2-one | MFCD02179614 | 2H-Indol-2-one, 1,3-dihydro-5,7-dinitro- | AKOS015833294 | 5,7-dinitroindolin-2-one | SCHEMBL2078114 | FT-0638923 | BS-22269 | DTXSID

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

5,7-Dinitrooxindole | AB11406 | 5,7-DINITRO-1,3-DIHYDRO-INDOL-2-ONE | 5,7-dinitro-1,3-dihydroindol-2-one | MFCD02179614 | 2H-Indol-2-one, 1,3-dihydro-5,7-dinitro- | AKOS015833294 | 5,7-dinitroindolin-2-one | SCHEMBL2078114 | FT-0638923 | BS-22269 | DTXSID

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: C1C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NC1=O
• IUPAC Name: 5,7-dinitro-1,3-dihydroindol-2-one
• InChIKey: OHIHEPCCFSIXCK-UHFFFAOYSA-N
• INCHI: 1S/C8H5N3O5/c12-7-2-4-1-5(10(13)14)3-6(11(15)16)8(4)9-7/h1,3H,2H2,(H,9,12)
• Isomeri SMILES: C1C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NC1=O
• Peso molecolare: 223.14
• Reaxy-Rn: 1479372
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1479372&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Nitroaromatic compounds Benzenoids Secondary carboxylic acid amides Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Nitroaromatic compound - 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 - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 223.140 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 223.023 Da
• Monoisotopic Mass: 223.023 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 347.000
• 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