N-(2-chloro-4-nitrophenyl)-1-hydroxynaphthalene-2-carboxamide - ≥97% , CAS No.65570-43-6

CAS: 65570-43-6 Cat. No.: N177074 Peso molecular: 342.74 Número EC: 667-088-6

GRADE & PURITY ≥97%

Synonyms

MFCD00021479 | SB83327 | SY097943 | AS-50374 | N-(2-Chloro-4-nitrophenyl)-1-hydroxy-2-naphthamide | P10034 | 2'-chloro-1-hydroxy-4'-nitro-2-naphthanilide | SCHEMBL3243499 | C17H11ClN2O4 | N-(2-chloro-4-nitrophenyl)-1-hydroxynaphthalene-2-carboxamide | AKO

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD00021479 | SB83327 | SY097943 | AS-50374 | N-(2-Chloro-4-nitrophenyl)-1-hydroxy-2-naphthamide | P10034 | 2'-chloro-1-hydroxy-4'-nitro-2-naphthanilide | SCHEMBL3243499 | C17H11ClN2O4 | N-(2-chloro-4-nitrophenyl)-1-hydroxynaphthalene-2-carboxamide | AKO

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)C=CC(=C2O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl
• IUPAC Name: N-(2-chloro-4-nitrophenyl)-1-hydroxynaphthalene-2-carboxamide
• InChIKey: DACDOWVXWKIAAT-UHFFFAOYSA-N
• INCHI: 1S/C17H11ClN2O4/c18-14-9-11(20(23)24)6-8-15(14)19-17(22)13-7-5-10-3-1-2-4-12(10)16(13)21/h1-9,21H,(H,19,22)
• Isómeros SMILES: C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl
• Peso molecular: 342.74
• Reaxy-Rn: 2899336
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2899336&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives
        • Level5 Naphthalenecarboxamides
          • Level6 Naphthalene-2-carboxanilides
            • Level7 1-hydroxynaphthalene-2-carboxanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Naphthalenecarboxamides - Naphthalene-2-carboxanilides
• Direct Parent: 1-hydroxynaphthalene-2-carboxanilides
• Alternative Parents: Aromatic anilides Naphthols and derivatives Salicylic acid and derivatives Nitrobenzenes Nitroaromatic compounds 1-hydroxy-4-unsubstituted benzenoids Chlorobenzenes Aryl chlorides Vinylogous acids Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Organochlorides Organonitrogen compounds Organooxygen compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-hydroxynaphthalene-2-carboxanilide - Aromatic anilide - 1-naphthol - Salicylic acid or derivatives - Nitrobenzene - Nitroaromatic compound - 1-hydroxy-4-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous acid - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic zwitterion - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-hydroxynaphthalene-2-carboxanilides. These are naphthalene-2-carboxamides, where the carboxamide group is substituted with an aniline, and the naphthalene ring system is hydroxylated at the ring 1-position.
• 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: 342.700 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 342.041 Da
• Monoisotopic Mass: 342.041 Da
• Topological Polar Surface Area: 95.200 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 484.000
• 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