3,5-Dibromophenylacetic acid - ≥98% , CAS No.188347-49-1

CAS: 188347-49-1 Cat. No.: D191777 Summenformel: C₈H₆Br₂O₂ Molekulargewicht: 293.94 EG-Nummer: 895-844-7

GRADE & PURITY ≥98%

Synonyms

SCHEMBL2281695 | 2-(3,5-dibromophenyl)acetic acid;3,5-Dibromophenylacetic acid | 2-(3,5-dibromophenyl)aceticAcid | DTXSID00415837 | MFCD07787513 | (3,5-dibromophenyl)acetic acid | (3,5-dibromo-phenyl)acetic acid | FT-0655960 | AS-18809 | AKOS015890308 | I

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

SCHEMBL2281695 | 2-(3,5-dibromophenyl)acetic acid;3,5-Dibromophenylacetic acid | 2-(3,5-dibromophenyl)aceticAcid | DTXSID00415837 | MFCD07787513 | (3,5-dibromophenyl)acetic acid | (3,5-dibromo-phenyl)acetic acid | FT-0655960 | AS-18809 | AKOS015890308 | I

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528758000

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528758000

Kanonisches Lächeln

C1=C(C=C(C=C1Br)Br)CC(=O)O

IUPAC Name

2-(3,5-dibromophenyl)acetic acid

InChIKey

NTQNLWCPZSORSR-UHFFFAOYSA-N

INCHI

1S/C8H6Br2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12)

Isomere SMILES

C1=C(C=C(C=C1Br)Br)CC(=O)O

Molekulargewicht

293.94

Reaxy-Rn

7702047

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7702047&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Aryl halide - Aryl bromide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 293.940 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 293.871 Da
• Monoisotopic Mass: 291.873 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 162.000
• 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