1-chloro-3-ethylbenzene

• ChemBase ID: 236962
• Molecular Formular: C8H9Cl
• Molecular Mass: 140.61006
• Monoisotopic Mass: 140.03927797
• SMILES: c1c(Cl)cccc1CC
• Canonical SMILES: CCc1cccc(c1)Cl
• InChI: InChI=1S/C8H9Cl/c1-2-7-4-3-5-8(9)6-7/h3-6H,2H2,1H3
• InChIKey: LOXUEGMPESDGBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-3-ethylbenzene
• IUPAC Traditional name: benzene, 1-chloro-3-ethyl-
• Synonyms: 1-chloro-3-ethylbenzene

Database IDs

• MDL Number: MFCD02181081
• PubChem SID: 164292872
• PubChem CID: 136426

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.5352805
• LogD (pH = 7.4): 3.5352805
• Log P: 3.5352805
• Molar Refractivity: 40.505 cm^3
• Polarizability: 15.795899 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.883

Product Information

• Purity: 95%