2-(4-Bromo-2-chlorophenoxy)propanohydrazide , CAS No.588679-51-0

CAS: 588679-51-0 Cat. No.: B1356109 Formula: C₉H₁₀BrClN₂O₂ Peso molecolare: 293.55 PubChem CID: 3836733

Storage

Room temperature

Shipped In

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Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

• Sorrisi canonici: CC(C(=O)NN)OC1=C(C=C(C=C1)Br)Cl
• IUPAC Name: 2-(4-bromo-2-chlorophenoxy)propanehydrazide
• InChIKey: RKNFXQJEWVQEOS-UHFFFAOYSA-N
• INCHI: 1S/C9H10BrClN2O2/c1-5(9(14)13-12)15-8-3-2-6(10)4-7(8)11/h2-5H,12H2,1H3,(H,13,14)
• Isomeri SMILES: CC(C(=O)NN)OC1=C(C=C(C=C1)Br)Cl
• PubChem CID: 3836733
• Peso molecolare: 293.55

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Chlorobenzenes Bromobenzenes Alkyl aryl ethers Aryl chlorides Aryl bromides Carboxylic acid hydrazides Organonitrogen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ether - Phenoxy compound - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Aryl chloride - Carboxylic acid hydrazide - Ether - Carboxylic acid derivative - Organobromide - Organochloride - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with 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

Proprietà chimiche e fisiche

• Peso molecolare: 293.540 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 291.961 Da
• Monoisotopic Mass: 291.961 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 230.000
• 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

Domande frequenti

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 588679-51-0, the molecular formula is C9H10BrClN2O2, and the molecular weight is 293.55 g/mol. InChIKey RKNFXQJEWVQEOS-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.