2-Chloro-4-(3-fluoro-4-methoxyphenyl)phenol - ≥95% , CAS No.1261892-00-5

CAS: 1261892-00-5 Cat. No.: C180828 Peso molecular: 252.7

GRADE & PURITY ≥95%

Synonyms

AKOS015907927 | 3-Chloro-3'-fluoro-4'-methoxy-[1,1'-biphenyl]-4-ol | 3-Chloro-3'-fluoro-4'-methoxy[1,1'-biphenyl]-4-ol | BS-20122 | 2-CHLORO-4-(3-FLUORO-4-METHOXYPHENYL)PHENOL | DTXSID90685986 | SCHEMBL19270951 | MFCD18315600 | 1261892-00-5 | A889597 | [1

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS015907927 | 3-Chloro-3'-fluoro-4'-methoxy-[1, 1'-biphenyl]-4-ol | 3-Chloro-3'-fluoro-4'-methoxy[1, 1'-biphenyl]-4-ol | BS-20122 | 2-CHLORO-4-(3-FLUORO-4-METHOXYPHENYL)PHENOL | DTXSID90685986 | SCHEMBL19270951 | MFCD18315600 | 1261892-00-5 | A889597 | [1

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=C(C=C1)C2=CC(=C(C=C2)O)Cl)F
• IUPAC Name: 2-chloro-4-(3-fluoro-4-methoxyphenyl)phenol
• InChIKey: BGJSWYUYDPQDAA-UHFFFAOYSA-N
• INCHI: 1S/C13H10ClFO2/c1-17-13-5-3-9(7-11(13)15)8-2-4-12(16)10(14)6-8/h2-7,16H,1H3
• Isómeros SMILES: COC1=C(C=C(C=C1)C2=CC(=C(C=C2)O)Cl)F
• Peso molecular: 252.7
• Reaxy-Rn: 41442264
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=41442264&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorinated biphenyls
• Alternative Parents: Phenoxy compounds O-chlorophenols Methoxybenzenes Anisoles Fluorobenzenes Chlorobenzenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Aryl chlorides Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorinated biphenyl - Anisole - Phenoxy compound - 2-halophenol - 2-chlorophenol - Phenol ether - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Aryl chloride - Ether - Organohalogen compound - Organochloride - Organic oxygen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety.
• 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: 252.670 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 252.035 Da
• Monoisotopic Mass: 252.035 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 252.000
• 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