4-Chloro-2-fluorobenzamide - ≥95% , CAS No.104326-93-4

CAS: 104326-93-4 Cat. No.: C586233 Formula: C₇H₅NOFCl Peso molecolare: 173.57 Numero EC: 846-258-5

GRADE & PURITY ≥95%

Synonyms

SCHEMBL911253 | DTXSID60395520 | 4-chloro-2-fluorobenzamide | 4-chloro-2-fluoro-benzamide | AS-48558 | MFCD04115956 | Z116821738 | AKOS009039978 | ISXNTFNVBYPXMO-UHFFFAOYSA-N | EN300-6768988 | F51090

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinonimi

SCHEMBL911253 | DTXSID60395520 | 4-chloro-2-fluorobenzamide | 4-chloro-2-fluoro-benzamide | AS-48558 | MFCD04115956 | Z116821738 | AKOS009039978 | ISXNTFNVBYPXMO-UHFFFAOYSA-N | EN300-6768988 | F51090

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

C1=CC(=C(C=C1Cl)F)C(=O)N

IUPAC Name

4-chloro-2-fluorobenzamide

InChIKey

ISXNTFNVBYPXMO-UHFFFAOYSA-N

INCHI

1S/C7H5ClFNO/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H2,10,11)

Isomeri SMILES

C1=CC(=C(C=C1Cl)F)C(=O)N

CAS alternativo

104326-93-4

Peso molecolare

173.57

Reaxy-Rn

13554624

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13554624&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 4-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 4-halobenzoic acids and derivatives
• Alternative Parents: 2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Vinylogous halides Primary carboxylic acid amides Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Vinylogous halide - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of 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

Proprietà chimiche e fisiche

• Peso molecolare: 173.570 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 173.004 Da
• Monoisotopic Mass: 173.004 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 165.000
• 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