7-Bromo-4-hydroxy-8-methylquinoline-3-carboxylic acid , CAS No.1189107-54-7

CAS: 1189107-54-7 Cat. No.: B166318 Formula: C₁₁H₈BrNO₃ Peso molecolare: 282.09 Numero EC: 802-596-5

Synonyms

7-BROMO-8-METHYL-4-OXO-1H-QUINOLINE-3-CARBOXYLIC ACID | 7-Bromo-4-hydroxy-8-methylquinoline-3-carboxylic acid, AldrichCPR | MFCD12674984 | SCHEMBL15053880 | 7-Bromo-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 1189107-54-7 | DTXSID80670927 | 7-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

7-BROMO-8-METHYL-4-OXO-1H-QUINOLINE-3-CARBOXYLIC ACID | 7-Bromo-4-hydroxy-8-methylquinoline-3-carboxylic acid, AldrichCPR | MFCD12674984 | SCHEMBL15053880 | 7-Bromo-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 1189107-54-7 | DTXSID80670927 | 7-

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

• Sorrisi canonici: CC1=C(C=CC2=C1NC=C(C2=O)C(=O)O)Br
• IUPAC Name: 7-bromo-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
• InChIKey: CSCYIJACNBZKHZ-UHFFFAOYSA-N
• INCHI: 1S/C11H8BrNO3/c1-5-8(12)3-2-6-9(5)13-4-7(10(6)14)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16)
• Isomeri SMILES: CC1=C(C=CC2=C1NC=C(C2=O)C(=O)O)Br
• WGK Germania: 3
• Peso molecolare: 282.09
• Reaxy-Rn: 34118853
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34118853&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Quinoline carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Quinoline carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline carboxylic acids
• Alternative Parents: Hydroquinolones Haloquinolines Hydroquinolines Pyridinecarboxylic acids Benzenoids Aryl bromides Vinylogous amides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-3-carboxylic acid - Dihydroquinolone - Haloquinoline - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Benzenoid - Aryl halide - Pyridine - Aryl bromide - Heteroaromatic compound - Vinylogous amide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 282.090 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 280.969 Da
• Monoisotopic Mass: 280.969 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 366.000
• 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

Domande frequenti

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1189107-54-7, the molecular formula is C11H8BrNO3, and the molecular weight is 282.09 g/mol. InChIKey CSCYIJACNBZKHZ-UHFFFAOYSA-N.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.