4-Methoxy-3-nitrobenzamide - ≥97% , CAS No.10397-58-7

CAS: 10397-58-7 Cat. No.: M299738 Formule: C₈H₈N₂O₄ Poids moléculaire: 196.16 Numéro CE: 233-859-7

QUALITÉ & PURETÉ ≥97%

Synonyms

3-Nitro-p-anisamide|p-Anisamide, 3-nitro-|4-Methoxy-3-nitrobenzamide|4-Methoxy-3-nitro-benzamide|Benzamide, 4-methoxy-3-nitro-|Benzamide,4-methoxy-3-nitro-

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

3-Nitro-p-anisamide | p-Anisamide, 3-nitro- | 4-Methoxy-3-nitrobenzamide | 4-Methoxy-3-nitro-benzamide | Benzamide, 4-methoxy-3-nitro- | Benzamide,4-methoxy-3-nitro-

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Sourires canoniques

COC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

IUPAC Name

4-methoxy-3-nitrobenzamide

InChIKey

PCQFJXUTKOUTRW-UHFFFAOYSA-N

INCHI

1S/C8H8N2O4/c1-14-7-3-2-5(8(9)11)4-6(7)10(12)13/h2-4H,1H3,(H2,9,11)

Isomères SMILES

COC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

Poids moléculaire

196.16

Reaxy-Rn

2808409

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2808409&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenyl ethers
• Alternative Parents: Benzamides Methoxyanilines Phenoxy compounds Anisoles Benzoyl derivatives Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Primary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenyl ether - Methoxyaniline - Benzoic acid or derivatives - Benzamide - Anisole - Phenoxy compound - Benzoyl - Nitroaromatic compound - Methoxybenzene - Phenol ether - Alkyl aryl ether - Organic nitro compound - C-nitro compound - Primary carboxylic acid amide - Carboxamide group - Ether - Organic oxoazanium - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the 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

Propriétés chimiques et physiques

• Poids moléculaire: 196.160 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 196.048 Da
• Monoisotopic Mass: 196.048 Da
• Topological Polar Surface Area: 98.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 238.000
• 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