methyl 3-(4-bromophenyl)oxetane-3-carboxylate - ≥97% , CAS No.1423702-65-1

CAS: 1423702-65-1 Cat. No.: M629088 Molecular Weight: 271.11 PubChem CID: 71264587

GRADE & PURITY ≥97%

Synonyms

methyl 3-(4-bromophenyl)oxetane-3-carboxylate | 1423702-65-1 | SCHEMBL14709237 | MFCD28403908 | methyl3-(4-bromophenyl)oxetane-3-carboxylate

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

methyl 3-(4-bromophenyl)oxetane-3-carboxylate | 1423702-65-1 | SCHEMBL14709237 | MFCD28403908 | methyl3-(4-bromophenyl)oxetane-3-carboxylate

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC(=O)C1(COC1)C2=CC=C(C=C2)Br
• IUPAC Name: methyl 3-(4-bromophenyl)oxetane-3-carboxylate
• InChIKey: ONLZHJWEFMTUEW-UHFFFAOYSA-N
• INCHI: 1S/C11H11BrO3/c1-14-10(13)11(6-15-7-11)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3
• Isomeric SMILES: COC(=O)C1(COC1)C2=CC=C(C=C2)Br
• PubChem CID: 71264587
• Molecular Weight: 271.11

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Methyl esters Oxetanes Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bromobenzene - Aryl bromide - Aryl halide - Methyl ester - Carboxylic acid ester - Oxetane - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organobromide - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: 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