2-CHLORO-3'-NITROACETANILIDE , CAS No.10147-71-4

CAS: 10147-71-4 Cat. No.: C165417 Formula: C₈H₇ClN₂O₃ Peso molecolare: 214.61 Numero EC: 680-975-2

Synonyms

2-CHLORO-3'-NITROACETANILIDE | Acetamide, 2-chloro-N-(3-nitrophenyl)- | MFCD00024359 | 2-chloro-N-(3-nitrophenyl)acetamide | 2-Chloro-N-(3-nitro-phenyl)-acetamide | 2-chloro-N-(3-nitrophenyl)-acetamide | DTXSID70906207 | N-chloroacetyl-3-nitroaniline | D9

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

2-CHLORO-3'-NITROACETANILIDE | Acetamide, 2-chloro-N-(3-nitrophenyl)- | MFCD00024359 | 2-chloro-N-(3-nitrophenyl)acetamide | 2-Chloro-N-(3-nitro-phenyl)-acetamide | 2-chloro-N-(3-nitrophenyl)-acetamide | DTXSID70906207 | N-chloroacetyl-3-nitroaniline | D9

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

Sorrisi canonici

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCl

IUPAC Name

2-chloro-N-(3-nitrophenyl)acetamide

InChIKey

UCBHRCPNMDOUMV-UHFFFAOYSA-N

INCHI

1S/C8H7ClN2O3/c9-5-8(12)10-6-2-1-3-7(4-6)11(13)14/h1-4H,5H2,(H,10,12)

Isomeri SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCl

Peso molecolare

214.61

Reaxy-Rn

913533

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=913533&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: Nitrobenzenes
• Alternative Parents: Anilides Nitroaromatic compounds N-arylamides Chloroacetamides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Chloroacetamide - Carboxamide group - 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 - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Organic oxygen compound - Alkyl chloride - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 214.600 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 214.015 Da
• Monoisotopic Mass: 214.015 Da
• Topological Polar Surface Area: 74.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 229.000
• 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