5-(9H-Carbazol-9-YL)isophthalic acid - ≥97% , CAS No.1800465-14-8

CAS: 1800465-14-8 Cat. No.: H1231693 Peso molecular: 331.3 PubChem CID: 122379260

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC(=CC(=C4)C(=O)O)C(=O)O
• IUPAC Name: 5-carbazol-9-ylbenzene-1,3-dicarboxylic acid
• InChIKey: FSBOFYVDIUYNAR-UHFFFAOYSA-N
• INCHI: 1S/C20H13NO4/c22-19(23)12-9-13(20(24)25)11-14(10-12)21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-11H,(H,22,23)(H,24,25)
• PubChem CID: 122379260
• Peso molecular: 331.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: Benzoic acids Benzoyl derivatives Heterocyclic fatty acids Branched fatty acids Unsaturated fatty acids Dicarboxylic acids and derivatives Pyrrolidines Heteroaromatic compounds Trialkylamines Amino acids Enamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Heterocyclic fatty acid - Branched fatty acid - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrolidine - Amino acid - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Azacycle - Enamine - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• 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

• Peso molecular: 331.300 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 331.084 Da
• Monoisotopic Mass: 331.084 Da
• Topological Polar Surface Area: 79.500 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 492.000
• 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