2-Ethyl-1,1'-biphenyl - ≥98% , CAS No.1812-51-7

CAS: 1812-51-7 Cat. No.: E693602 분자식: C₁₄H₁₄ 분자량: 182.26 PubChem CID: 15742

등급 & 순도 ≥98%

Synonyms

1-Ethyl-2-Phenyl-Benzene

Storage

Room temperature,Desiccated

Shipped In

Normal

사양

동의어

1-Ethyl-2-Phenyl-Benzene

사양 및 순도

≥98%

보관 조건

Room temperature,Desiccated

배송

Normal

순수함

≥98%

이름과 식별자

정식 스마일

CCC1=CC=CC=C1C2=CC=CC=C2

IUPAC Name

1-ethyl-2-phenylbenzene

InChIKey

DLMYHUARHITGIJ-UHFFFAOYSA-N

INCHI

1S/C14H14/c1-2-12-8-6-7-11-14(12)13-9-4-3-5-10-13/h3-11H,2H2,1H3

이성체 SMILES

CCC1=CC=CC=C1C2=CC=CC=C2

PubChem CID

15742

분자량

182.26

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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: 182.260 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 182.11 Da
• Monoisotopic Mass: 182.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 155.000
• 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