(5-Bromo-2-fluorophenyl)(cyclopropyl)methanamine - ≥95% , CAS No.1270377-73-5

CAS: 1270377-73-5 Cat. No.: B1254259 Summenformel: C₁₀H₁₁BrFN Molekulargewicht: 244.1 PubChem CID: 79016515

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: C1CC1C(C2=C(C=CC(=C2)Br)F)N
• IUPAC Name: (5-bromo-2-fluorophenyl)-cyclopropylmethanamine
• InChIKey: LVFQLBOMQVKLIJ-UHFFFAOYSA-N
• INCHI: 1S/C10H11BrFN/c11-7-3-4-9(12)8(5-7)10(13)6-1-2-6/h3-6,10H,1-2,13H2
• Isomere SMILES: C1CC1C(C2=C(C=CC(=C2)Br)F)N
• PubChem CID: 79016515
• Molekulargewicht: 244.1

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Bromobenzenes Aralkylamines Aryl fluorides Aryl bromides Organofluorides Organobromides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Bromobenzene - Fluorobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Amine - Organobromide - Organohalogen compound - Primary aliphatic amine - Organofluoride - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a 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: 244.100 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 243.006 Da
• Monoisotopic Mass: 243.006 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 184.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1