5-Bromo-3-methoxy-2-nitropyridine - ≥98% , CAS No.152684-26-9

CAS: 152684-26-9 Cat. No.: B191097 Summenformel: C₆H₅BrN₂O₃ Molekulargewicht: 233.02

QUALITÄT & REINHEIT ≥98%

Synonyms

AC-907/34126018 | AKOS015891629 | SY035901 | A809345 | DS-15807 | MFCD00834963 | OLWFTDPHNVYMMN-UHFFFAOYSA-N | Pyridine, 5-bromo-3-methoxy-2-nitro- | DTXSID30355858 | 5-bromo-2-nitro-3-methoxypyridine | SCHEMBL195009 | 5-bromo-3-methoxy-2-nitropyridine |

Storage

Room temperature,Argon charged

Shipped In

Normal

Spezifikationen

Synonyme

AC-907/34126018 | AKOS015891629 | SY035901 | A809345 | DS-15807 | MFCD00834963 | OLWFTDPHNVYMMN-UHFFFAOYSA-N | Pyridine, 5-bromo-3-methoxy-2-nitro- | DTXSID30355858 | 5-bromo-2-nitro-3-methoxypyridine | SCHEMBL195009 | 5-bromo-3-methoxy-2-nitropyridine |

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528761741

Kanonisches Lächeln

COC1=C(N=CC(=C1)Br)[N+](=O)[O-]

IUPAC Name

5-bromo-3-methoxy-2-nitropyridine

InChIKey

OLWFTDPHNVYMMN-UHFFFAOYSA-N

INCHI

1S/C6H5BrN2O3/c1-12-5-2-4(7)3-8-6(5)9(10)11/h2-3H,1H3

Isomere SMILES

COC1=C(N=CC(=C1)Br)[N+](=O)[O-]

Molekulargewicht

233.02

Reaxy-Rn

152289

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=152289&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Klasse Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Ebene5 C-nitro compounds
          • Ebene6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Klasse: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Alkyl aryl ethers Pyridines and derivatives Imidolactams Aryl bromides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Alkyl aryl ether - Aryl bromide - Aryl halide - Imidolactam - Pyridine - Heteroaromatic compound - Ether - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 233.020 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 231.948 Da
• Monoisotopic Mass: 231.948 Da
• Topological Polar Surface Area: 67.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 173.000
• 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