5-(4-Bromophenyl)oxazole-2-propionic acid - ≥97% , CAS No.23464-96-2

CAS: 23464-96-2 Cat. No.: B168859 Formula: C₁₂H₁₀BrNO₃ Peso molecolare: 296.12 Numero EC: 623-829-5

GRADE & PURITY ≥97%

Synonyms

2-Oxazolepropanoic acid, 5-(4-bromophenyl)- | 5-(4-Bromophenyl)oxazole-2-propionic acid | AR-683/43306484 | MFCD07784410 | TS-01075 | 3-(5-(4-Bromophenyl)oxazol-2-yl)propanoicacid | 3-[5-(4-bromophenyl)-1,3-oxazol-2-yl]propanoic acid | 3-[5-(4-BROMOPHENYL

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

2-Oxazolepropanoic acid, 5-(4-bromophenyl)- | 5-(4-Bromophenyl)oxazole-2-propionic acid | AR-683/43306484 | MFCD07784410 | TS-01075 | 3-(5-(4-Bromophenyl)oxazol-2-yl)propanoicacid | 3-[5-(4-bromophenyl)-1,3-oxazol-2-yl]propanoic acid | 3-[5-(4-BROMOPHENYL

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488199023

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488199023

Sorrisi canonici

C1=CC(=CC=C1C2=CN=C(O2)CCC(=O)O)Br

IUPAC Name

3-[5-(4-bromophenyl)-1,3-oxazol-2-yl]propanoic acid

InChIKey

JLFDJAGKPSZXGN-UHFFFAOYSA-N

INCHI

1S/C12H10BrNO3/c13-9-3-1-8(2-4-9)10-7-14-11(17-10)5-6-12(15)16/h1-4,7H,5-6H2,(H,15,16)

Isomeri SMILES

C1=CC(=CC=C1C2=CN=C(O2)CCC(=O)O)Br

WGK Germania

3

Peso molecolare

296.12

Reaxy-Rn

1079270

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1079270&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Oxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl-1,3-oxazoles
• Alternative Parents: Bromobenzenes 2,5-disubstituted oxazoles Aryl bromides Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,3-oxazole - 2,5-disubstituted 1,3-oxazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group.
• 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

• Punto di fusione (°C): 160-164 °C
• Peso molecolare: 296.120 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 294.984 Da
• Monoisotopic Mass: 294.984 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 266.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 23464-96-2, the molecular formula is C12H10BrNO3, and the molecular weight is 296.12 g/mol. InChIKey JLFDJAGKPSZXGN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.