5-(4-Bromophenyl)-6-hydroxypyrimidin-4(1H)-one - ≥98% , CAS No.706811-25-8

CAS: 706811-25-8 Cat. No.: H194703 Peso molecular: 267.08 Número EC: 814-997-2 PubChem CID: 54191439

GRADE & PURITY ≥98%

Synonyms

DS-12024 | A918321 | 5-(4-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one | 5-(4-Bromophenyl)-4,6-pyrimidinediol | DTXSID201249021 | AKOS027326807 | MFCD28044068 | SCHEMBL1001064 | AKOS017560637 | PIUMVXYVNAISNG-UHFFFAOYSA-N | SB55503 | 4(1H)-Pyrimidinone, 5-(4

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DS-12024 | A918321 | 5-(4-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one | 5-(4-Bromophenyl)-4, 6-pyrimidinediol | DTXSID201249021 | AKOS027326807 | MFCD28044068 | SCHEMBL1001064 | AKOS017560637 | PIUMVXYVNAISNG-UHFFFAOYSA-N | SB55503 | 4(1H)-Pyrimidinone, 5-(4

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488201669
• Sonrisas canónicas: C1=CC(=CC=C1C2=C(N=CNC2=O)O)Br
• IUPAC Name: 5-(4-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
• InChIKey: PIUMVXYVNAISNG-UHFFFAOYSA-N
• INCHI: 1S/C10H7BrN2O2/c11-7-3-1-6(2-4-7)8-9(14)12-5-13-10(8)15/h1-5H,(H2,12,13,14,15)
• Isómeros SMILES: C1=CC(=CC=C1C2=C(N=CNC2=O)O)Br
• PubChem CID: 54191439
• Peso molecular: 267.08

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxypyrimidines
• Alternative Parents: Bromobenzenes Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydroxypyrimidine - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring 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

Propiedades químicas y físicas

• Peso molecular: 267.080 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 265.969 Da
• Monoisotopic Mass: 265.969 Da
• Topological Polar Surface Area: 61.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 330.000
• 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