(4-Bromophenyl)(thiazol-2-yl)methanol - ≥98% , CAS No.356552-30-2

CAS: 356552-30-2 Cat. No.: B183991 Peso molecular: 270.1

GRADE & PURITY ≥98%

Synonyms

AKOS003579803 | Oprea1_615018 | SCHEMBL5514812 | (4-bromophenyl)-(1,3-thiazol-2-yl)methanol | (4-bromophenyl)(1,3-thiazol-2-yl)methanol | AKOS016842761 | MFCD03211626 | (4-Bromophenyl)(thiazol-2-yl)methanol | FT-0716728 | WJQRNBMHNPHGCA-UHFFFAOYSA-N | BS-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS003579803 | Oprea1_615018 | SCHEMBL5514812 | (4-bromophenyl)-(1, 3-thiazol-2-yl)methanol | (4-bromophenyl)(1, 3-thiazol-2-yl)methanol | AKOS016842761 | MFCD03211626 | (4-Bromophenyl)(thiazol-2-yl)methanol | FT-0716728 | WJQRNBMHNPHGCA-UHFFFAOYSA-N | BS-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1C(C2=NC=CS2)O)Br
• IUPAC Name: (4-bromophenyl)-(1,3-thiazol-2-yl)methanol
• InChIKey: WJQRNBMHNPHGCA-UHFFFAOYSA-N
• INCHI: 1S/C10H8BrNOS/c11-8-3-1-7(2-4-8)9(13)10-12-5-6-14-10/h1-6,9,13H
• Isómeros SMILES: C1=CC(=CC=C1C(C2=NC=CS2)O)Br
• Peso molecular: 270.1
• Reaxy-Rn: 9996461
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9996461&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Thiazoles Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bromobenzene - Aryl bromide - Aryl halide - Azole - Heteroaromatic compound - Thiazole - Secondary alcohol - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic alcohol - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a 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: 270.150 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 268.951 Da
• Monoisotopic Mass: 268.951 Da
• Topological Polar Surface Area: 61.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 185.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1