7-Benzyloxy-1H-indazole-3-carboxylic acid - ≥96% , CAS No.177941-17-2

CAS: 177941-17-2 Cat. No.: B336761 Peso molecular: 268.272

GRADE & PURITY ≥96%

Synonyms

7-Benzyloxy-1h-indazole-3-carboxylicacid | A812312 | ethyl-1-methyl-5-propyl-1h-pyrazole-3-carboxylate | AB22145 | 7-phenylmethoxy-1H-indazole-3-carboxylic acid | SCHEMBL8715749 | DTXSID90614418 | 7-(benzyloxy)-1H-indazole-3-carboxylic acid | AKOS01600446

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

7-Benzyloxy-1h-indazole-3-carboxylicacid | A812312 | ethyl-1-methyl-5-propyl-1h-pyrazole-3-carboxylate | AB22145 | 7-phenylmethoxy-1H-indazole-3-carboxylic acid | SCHEMBL8715749 | DTXSID90614418 | 7-(benzyloxy)-1H-indazole-3-carboxylic acid | AKOS01600446

Especificaciones y pureza

≥96%

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

≥96%

Nombres e identificadores

• Pubchem Sid: 504768994
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768994
• Sonrisas canónicas: C1=CC=C(C=C1)COC2=CC=CC3=C2NN=C3C(=O)O
• IUPAC Name: 7-phenylmethoxy-1H-indazole-3-carboxylic acid
• InChIKey: ZFVAAEXVMARVQU-UHFFFAOYSA-N
• INCHI: 1S/C15H12N2O3/c18-15(19)14-11-7-4-8-12(13(11)16-17-14)20-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)(H,18,19)
• Isómeros SMILES: C1=CC=C(C=C1)COC2=CC=CC3=C2NN=C3C(=O)O
• Peso molecular: 268.272
• Reaxy-Rn: 14080775
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14080775&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzopyrazoles
      • Subclass Indazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzopyrazoles
• Subclass: Indazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indazoles
• Alternative Parents: Pyrazole carboxylic acids and derivatives Phenol ethers Alkyl aryl ethers Benzene and substituted derivatives Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzopyrazole - Indazole - Pyrazole-3-carboxylic acid or derivatives - Pyrazole-5-carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
• 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: 268.270 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 268.085 Da
• Monoisotopic Mass: 268.085 Da
• Topological Polar Surface Area: 75.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 344.000
• 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