2′-Nitro-4′-(trifluoromethoxy)acetanilide - ≥98% , CAS No.787-57-5

CAS: 787-57-5 Cat. No.: N338192 Summenformel: C₉H₇F₃N₂O₄ Molekulargewicht: 264.16 EG-Nummer: 632-825-2

QUALITÄT & REINHEIT ≥98%

Synonyms

2'-Nitro-4'-(trifluoromethoxy)acetanilide | 2-Nitro-4-(trifluoromethoxy)acetanilide | MixCom1_000277 | SCHEMBL3483129 | A839486 | AKOS015907724 | SR-01000639293-1 | CCG-49867 | FT-0613158 | Acetamide,N-[2-nitro-4-(trifluoromethoxy)phenyl]- | N-(2-Nitro-4-

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

2'-Nitro-4'-(trifluoromethoxy)acetanilide | 2-Nitro-4-(trifluoromethoxy)acetanilide | MixCom1_000277 | SCHEMBL3483129 | A839486 | AKOS015907724 | SR-01000639293-1 | CCG-49867 | FT-0613158 | Acetamide,N-[2-nitro-4-(trifluoromethoxy)phenyl]- | N-(2-Nitro-4-

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528755015

Kanonisches Lächeln

CC(=O)NC1=C(C=C(C=C1)OC(F)(F)F)[N+](=O)[O-]

IUPAC Name

N-[2-nitro-4-(trifluoromethoxy)phenyl]acetamide

InChIKey

UCLBQTSVYJDQRU-UHFFFAOYSA-N

INCHI

1S/C9H7F3N2O4/c1-5(15)13-7-3-2-6(18-9(10,11)12)4-8(7)14(16)17/h2-4H,1H3,(H,13,15)

Isomere SMILES

CC(=O)NC1=C(C=C(C=C1)OC(F)(F)F)[N+](=O)[O-]

Molekulargewicht

264.16

Reaxy-Rn

2752029

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2752029&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenyl ethers
• Alternative Parents: Acetanilides N-acetylarylamines Phenoxy compounds Phenol ethers Nitroaromatic compounds Acetamides Trihalomethanes Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Organofluorides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenyl ether - Acetanilide - N-acetylarylamine - Anilide - Phenoxy compound - Nitroaromatic compound - Phenol ether - N-arylamide - Acetamide - Carboxamide group - C-nitro compound - Trihalomethane - Secondary carboxylic acid amide - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Halomethane - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Alkyl halide - Organohalogen compound - Organopnictogen compound - Alkyl fluoride - Organic oxygen compound - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 264.160 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 264.036 Da
• Monoisotopic Mass: 264.036 Da
• Topological Polar Surface Area: 84.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 329.000
• 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