GRADE & PURITY ≥97%

Synonyms

Cyclopropanecarboxylic acid, 1-(4-bromophenyl)-, ethyl ester | KCCISTCYYRKGFF-UHFFFAOYSA-N | ETHYL1-(4-BROMOPHENYL)CYCLOPROPANECARBOXYLATE | W17412 | 1215205-50-7 | 1-(4-Bromo-phenyl)-cyclopropanecarboxylic acid ethyl ester | DS-3591 | ethyl 1-(4-bromophe

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Cyclopropanecarboxylic acid, 1-(4-bromophenyl)-, ethyl ester | KCCISTCYYRKGFF-UHFFFAOYSA-N | ETHYL1-(4-BROMOPHENYL)CYCLOPROPANECARBOXYLATE | W17412 | 1215205-50-7 | 1-(4-Bromo-phenyl)-cyclopropanecarboxylic acid ethyl ester | DS-3591 | ethyl 1-(4-bromophe

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C1(CC1)C2=CC=C(C=C2)Br
• IUPAC Name: ethyl 1-(4-bromophenyl)cyclopropane-1-carboxylate
• InChIKey: KCCISTCYYRKGFF-UHFFFAOYSA-N
• INCHI: 1S/C12H13BrO2/c1-2-15-11(14)12(7-8-12)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3
• Isómeros SMILES: CCOC(=O)C1(CC1)C2=CC=C(C=C2)Br
• Peso molecular: 269.1
• Reaxy-Rn: 20925164
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20925164&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Cyclopropanecarboxylic acids and derivatives Aryl bromides Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Cyclopropanecarboxylic acid or derivatives - Aryl halide - Aryl bromide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom 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

Propiedades químicas y físicas

• Peso molecular: 269.130 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 268.01 Da
• Monoisotopic Mass: 268.01 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 240.000
• 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