7-Bromo-5-fluoroindole - ≥95% , CAS No.408355-23-7

CAS: 408355-23-7 Cat. No.: B170210 Formula: C₈H₅BrFN Peso molecolare: 214.03 Numero EC: 691-023-0

QUALITÀ & PUREZZA ≥95%

Synonyms

5-fluoro-7-bromoindole | 7-Bromo-5-fluoroindole | 7-Bromo-5-fluoro-indole | PB42778 | 7-bromo-5-fluoro-1H-indole | SCHEMBL1137858 | SY103922 | 7-Bromo-5-fluoroindole, 95% | DS-16250 | 1H-Indole, 7-bromo-5-fluoro- | DTXSID60397342 | FT-0677001 | 7-bromo-5-

Storage

Conservare a 2-8°C, con carica di argon

Shipped In

Ghiaccio umido

Specifiche

Sinonimi

5-fluoro-7-bromoindole | 7-Bromo-5-fluoroindole | 7-Bromo-5-fluoro-indole | PB42778 | 7-bromo-5-fluoro-1H-indole | SCHEMBL1137858 | SY103922 | 7-Bromo-5-fluoroindole, 95% | DS-16250 | 1H-Indole, 7-bromo-5-fluoro- | DTXSID60397342 | FT-0677001 | 7-bromo-5-

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C, con carica di argon

Spedito in

Ghiaccio umido

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

528762740

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528762740

Sorrisi canonici

C1=CNC2=C(C=C(C=C21)F)Br

IUPAC Name

7-bromo-5-fluoro-1H-indole

InChIKey

XOMFQRPHXMTJSG-UHFFFAOYSA-N

INCHI

1S/C8H5BrFN/c9-7-4-6(10)3-5-1-2-11-8(5)7/h1-4,11H

Isomeri SMILES

C1=CNC2=C(C=C(C=C21)F)Br

Peso molecolare

214.03

Reaxy-Rn

9387993

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9387993&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Benzenoids Aryl fluorides Aryl bromides Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Benzenoid - Aryl halide - Aryl fluoride - Aryl bromide - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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: 214.030 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 212.959 Da
• Monoisotopic Mass: 212.959 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 153.000
• 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