7-Nitrooxindole - ≥96% , CAS No.25369-31-7

CAS: 25369-31-7 Cat. No.: N334251 Formule: C₈H₆N₂O₃ Poids moléculaire: 178.14 Numéro CE: 801-772-9

QUALITÉ & PURETÉ ≥96%

Synonyms

SB66229 | 7-nitro-2,3-dihydro-1H-indol-2-one | Q-102644 | 7-nitroindolin-2-one | 7-Nitroindolinon | 7-nitroindoline-2-one | MFCD04088356 | 2-Indolinone,7-nitro- (8CI | AKOS006294894 | SCHEMBL4409786 | AS-17390 | SY030705 | AC-22707 | A817823 | 2H-Indol-2-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Spécifications

Synonymes

SB66229 | 7-nitro-2,3-dihydro-1H-indol-2-one | Q-102644 | 7-nitroindolin-2-one | 7-Nitroindolinon | 7-nitroindoline-2-one | MFCD04088356 | 2-Indolinone,7-nitro- (8CI | AKOS006294894 | SCHEMBL4409786 | AS-17390 | SY030705 | AC-22707 | A817823 | 2H-Indol-2-

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥96%

Noms et identifiants

Pubchem Sid

528762797

Sourires canoniques

C1C2=C(C(=CC=C2)[N+](=O)[O-])NC1=O

IUPAC Name

7-nitro-1,3-dihydroindol-2-one

InChIKey

VGANBSWHOYEFKJ-UHFFFAOYSA-N

INCHI

1S/C8H6N2O3/c11-7-4-5-2-1-3-6(10(12)13)8(5)9-7/h1-3H,4H2,(H,9,11)

Isomères SMILES

C1C2=C(C(=CC=C2)[N+](=O)[O-])NC1=O

Poids moléculaire

178.14

Reaxy-Rn

1530757

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1530757&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 Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• 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 salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteropolycyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 178.140 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 178.038 Da
• Monoisotopic Mass: 178.038 Da
• Topological Polar Surface Area: 74.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 248.000
• 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