5-Chloro-2-methylanisole - ≥97% , CAS No.40794-04-5

CAS: 40794-04-5 Cat. No.: C697202 분자식: C₈H₉ClO 분자량: 156.61 PubChem CID: 292858

GRADE & PURITY ≥97%

Synonyms

4-Chloro-2-methoxy-1-methylbenzene | 5-Chloro-2-methylphenyl methyl ether

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

4-Chloro-2-methoxy-1-methylbenzene | 5-Chloro-2-methylphenyl methyl ether

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

Pubchem Sid

528761543

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528761543

정식 스마일

CC1=C(C=C(C=C1)Cl)OC

IUPAC Name

4-chloro-2-methoxy-1-methylbenzene

InChIKey

RFZOGPABZLMDQW-UHFFFAOYSA-N

INCHI

1S/C8H9ClO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,1-2H3

이성체 SMILES

CC1=C(C=C(C=C1)Cl)OC

PubChem CID

292858

분자량

156.61

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Toluenes Chlorobenzenes Alkyl aryl ethers Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Toluene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Ether - Organohalogen compound - Organic oxygen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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: 156.610 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 156.034 Da
• Monoisotopic Mass: 156.034 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 105.000
• 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