tert-Butyl 2-(3-bromophenyl)acetate - ≥95% , CAS No.197792-52-2

CAS: 197792-52-2 Cat. No.: T587954 Peso molecular: 271.15 Número EC: 813-868-8 PubChem CID: 53936336

GRADE & PURITY ≥95%

Synonyms

t-Butyl 2-(3-bromophenyl)acetate | (3-bromo-phenyl)-acetic acid tert-butyl ester | tert-butyl 2-(3-bromophenyl)acetate | AKOS013211639 | 3-Bromo-phenyl Acetic Acid Tert-butyl Ester | DS-19045 | EN300-1696604 | SCHEMBL2909498 | IUQYZZLJRJUKIH-UHFFFAOYSA-N

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

t-Butyl 2-(3-bromophenyl)acetate | (3-bromo-phenyl)-acetic acid tert-butyl ester | tert-butyl 2-(3-bromophenyl)acetate | AKOS013211639 | 3-Bromo-phenyl Acetic Acid Tert-butyl Ester | DS-19045 | EN300-1696604 | SCHEMBL2909498 | IUQYZZLJRJUKIH-UHFFFAOYSA-N

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)CC1=CC(=CC=C1)Br
• IUPAC Name: tert-butyl 2-(3-bromophenyl)acetate
• InChIKey: IUQYZZLJRJUKIH-UHFFFAOYSA-N
• INCHI: 1S/C12H15BrO2/c1-12(2,3)15-11(14)8-9-5-4-6-10(13)7-9/h4-7H,8H2,1-3H3
• Isómeros SMILES: CC(C)(C)OC(=O)CC1=CC(=CC=C1)Br
• PubChem CID: 53936336
• Peso molecular: 271.15

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: Aryl bromides Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - 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: 271.150 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 270.026 Da
• Monoisotopic Mass: 270.026 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 220.000
• 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