2-((2,6-Dichlorobenzyl)oxy)ethanol - ≥98% , CAS No.85309-91-7

CAS: 85309-91-7 Cat. No.: E727447 분자식: C₉H₁₀Cl₂O₂ 분자량: 221.08 EC 번호: 617-700-2

GRADE & PURITY ≥98%

Synonyms

2-[(2，6-Dichlorobenzyl)oxy]ethanol-d4

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

동의어

2-[(2，6-Dichlorobenzyl)oxy]ethanol-d4

사양 및 순도

≥98%

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥98%

이름과 식별자

정식 스마일

C1=CC(=C(C(=C1)Cl)COCCO)Cl

IUPAC Name

2-[(2,6-dichlorophenyl)methoxy]ethanol

InChIKey

MCVIDUDFKDIJMZ-UHFFFAOYSA-N

INCHI

1S/C9H10Cl2O2/c10-8-2-1-3-9(11)7(8)6-13-5-4-12/h1-3,12H,4-6H2

이성체 SMILES

C1=CC(=C(C(=C1)Cl)COCCO)Cl

분자량

221.08

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Dichlorobenzenes Aryl chlorides Dialkyl ethers Primary alcohols Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Dialkyl ether - Ether - Organochloride - Alcohol - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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

화학 및 물리적 특성

• 분자량: 221.080 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 220.006 Da
• Monoisotopic Mass: 220.006 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 134.000
• 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