(2S)-2-(5-Chloro-6-methoxynaphthalen-2-yl)propanoic acid - ≥98% , CAS No.89617-86-7

CAS: 89617-86-7 Cat. No.: S489614 Peso molecular: 264.70 Número EC: 641-912-4 PubChem CID: 13075209

GRADE & PURITY ≥98%

Synonyms

(2S)-2-(5-Chloro-6-methoxynaphthalen-2-yl)propanoic Acid (5-Chloronaproxen) | NAPROXEN IMPURITY B [EP IMPURITY] | (2S)-2-(5-CHLORO-6-METHOXY-2-NAPHTHYL)PROPIONIC ACID | (2S)-2-(5-Chloro-6-methoxynaphthalen-2-yl)propanoic acid, pharmaceutical impurity stan

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(2S)-2-(5-Chloro-6-methoxynaphthalen-2-yl)propanoic Acid (5-Chloronaproxen) | NAPROXEN IMPURITY B [EP IMPURITY] | (2S)-2-(5-CHLORO-6-METHOXY-2-NAPHTHYL)PROPIONIC ACID | (2S)-2-(5-Chloro-6-methoxynaphthalen-2-yl)propanoic acid, pharmaceutical impurity stan

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504767328
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767328
• Sonrisas canónicas: CC(C1=CC2=C(C=C1)C(=C(C=C2)OC)Cl)C(=O)O
• IUPAC Name: (2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid
• InChIKey: RVVAYDHIVLCPBC-QMMMGPOBSA-N
• INCHI: 1S/C14H13ClO3/c1-8(14(16)17)9-3-5-11-10(7-9)4-6-12(18-2)13(11)15/h3-8H,1-2H3,(H,16,17)/t8-/m0/s1
• Isómeros SMILES: C[C@@H](C1=CC2=C(C=C1)C(=C(C=C2)OC)Cl)C(=O)O
• PubChem CID: 13075209
• Peso molecular: 264.70

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes
      • Subclass Chloronaphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Chloronaphthalenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chloronaphthalenes
• Alternative Parents: Anisoles Alkyl aryl ethers Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Chloronaphthalene - Anisole - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organochloride - Organohalogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as chloronaphthalenes. These are aromatic heterocyclic compounds containing a naphthalene moiety substituted at one or more positions by a chlorine atom.
• 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: 264.700 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 264.055 Da
• Monoisotopic Mass: 264.055 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 307.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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