2-Bromo-6-chlorophenylboronic acid - ≥98% , CAS No.1107580-65-3

CAS: 1107580-65-3 Cat. No.: B179407 Formule: C₆H₅BBrClO₂ Poids moléculaire: 235.3

GRADE & PURITY ≥98%

Synonyms

2-Bromo-6-chlorophenylboronic acid | (2-Bromo-6-chlorophenyl)boronic acid | AKOS004115041 | AMY39724 | J-508443 | (2-Bromo-6-chlorophenyl)boronicacid | N12117 | DTXSID50629664 | A894857 | FT-0686860 | SY105602 | 1107580-65-3 | MFCD08701777 | Boronic acid,

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

2-Bromo-6-chlorophenylboronic acid | (2-Bromo-6-chlorophenyl)boronic acid | AKOS004115041 | AMY39724 | J-508443 | (2-Bromo-6-chlorophenyl)boronicacid | N12117 | DTXSID50629664 | A894857 | FT-0686860 | SY105602 | 1107580-65-3 | MFCD08701777 | Boronic acid,

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: B(C1=C(C=CC=C1Br)Cl)(O)O
• IUPAC Name: (2-bromo-6-chlorophenyl)boronic acid
• InChIKey: FXNDJNORPGEJIP-UHFFFAOYSA-N
• INCHI: 1S/C6H5BBrClO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H
• Isomères SMILES: B(C1=C(C=CC=C1Br)Cl)(O)O
• Poids moléculaire: 235.3
• Reaxy-Rn: 41045831
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=41045831&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Bromobenzenes Aryl chlorides Aryl bromides Boronic acids Organic metalloid salts Organometalloid compounds Organochlorides Organobromides Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Bromobenzene - Aryl halide - Aryl chloride - Aryl bromide - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organochloride - Organobromide - Organic metalloid moeity - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene 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

Propriétés chimiques et physiques

• Poids moléculaire: 235.270 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 233.925 Da
• Monoisotopic Mass: 233.925 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 136.000
• 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

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