GRADE & PURITY ≥95%

Synonyms

5-BROMO-2-NAPHTHALENECARBOXYLIC ACID | AKOS005067145 | Cinnamic acid, a-(b-hydroxystyryl)-, g-lactone | SY104513 | MFCD08236734 | 5-bromo-naphthalene-2-carboxylic acid | 5-Bromonaphthalene-2-carboxylic acid | 5-bromo-2-napthoic acid | SCHEMBL3106132 | EN3

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

5-BROMO-2-NAPHTHALENECARBOXYLIC ACID | AKOS005067145 | Cinnamic acid, a-(b-hydroxystyryl)-, g-lactone | SY104513 | MFCD08236734 | 5-bromo-naphthalene-2-carboxylic acid | 5-Bromonaphthalene-2-carboxylic acid | 5-bromo-2-napthoic acid | SCHEMBL3106132 | EN3

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488198773
• Sonrisas canónicas: C1=CC2=C(C=CC(=C2)C(=O)O)C(=C1)Br
• IUPAC Name: 5-bromonaphthalene-2-carboxylic acid
• InChIKey: QPOQPJDDJJNVRY-UHFFFAOYSA-N
• INCHI: 1S/C11H7BrO2/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h1-6H,(H,13,14)
• Isómeros SMILES: C1=CC2=C(C=CC(=C2)C(=O)O)C(=C1)Br
• Peso molecular: 251.09
• Reaxy-Rn: 2094265
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2094265&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxylic acids
• Alternative Parents: Aryl bromides Carboxylic acids Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalenecarboxylic acid - Aryl halide - Aryl bromide - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused 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

Propiedades químicas y físicas

• Peso molecular: 251.080 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 249.963 Da
• Monoisotopic Mass: 249.963 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 229.000
• 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