5-Bromo-2-hydroxyphenylacetic acid - ≥98% , CAS No.38692-72-7

CAS: 38692-72-7 Cat. No.: B184213 Peso molecular: 231 Número EC: 982-460-0

GRADE & PURITY ≥98%

Synonyms

SKGHTMGJWQZJEI-UHFFFAOYSA-N | SCHEMBL5091374 | 2-hydroxy-5-bromo-phenylacetic acid | AKOS015890464 | (5-Bromo-2-hydroxyphenyl)acetic acid | FT-0731777 | AM84029 | (5-Bromo-2-hydroxyphenyl)acetic acid, AldrichCPR | SY116632 | MFCD16620636 | 2-(5-Bromo-2-hy

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

SKGHTMGJWQZJEI-UHFFFAOYSA-N | SCHEMBL5091374 | 2-hydroxy-5-bromo-phenylacetic acid | AKOS015890464 | (5-Bromo-2-hydroxyphenyl)acetic acid | FT-0731777 | AM84029 | (5-Bromo-2-hydroxyphenyl)acetic acid, AldrichCPR | SY116632 | MFCD16620636 | 2-(5-Bromo-2-hy

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488200047
• Sonrisas canónicas: C1=CC(=C(C=C1Br)CC(=O)O)O
• IUPAC Name: 2-(5-bromo-2-hydroxyphenyl)acetic acid
• InChIKey: SKGHTMGJWQZJEI-UHFFFAOYSA-N
• INCHI: 1S/C8H7BrO3/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,10H,4H2,(H,11,12)
• Isómeros SMILES: C1=CC(=C(C=C1Br)CC(=O)O)O
• Peso molecular: 231
• Reaxy-Rn: 2721016
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2721016&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylacetic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylacetic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: 2(hydroxyphenyl)acetic acids
• Alternative Parents: P-bromophenols Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2(hydroxyphenyl)acetic acid - 4-bromophenol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Phenol - Halobenzene - Aryl bromide - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2(hydroxyphenyl)acetic acids. These are phenylacetic acids that carry a hydroxyl group at the 2-position.
• 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: 231.040 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 229.958 Da
• Monoisotopic Mass: 229.958 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 172.000
• 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