2-cyclopropylacetyl chloride

• ChemBase ID: 273559
• Molecular Formular: C5H7ClO
• Molecular Mass: 118.56148
• Monoisotopic Mass: 118.01854252
• SMILES: C1(CC1)CC(=O)Cl
• Canonical SMILES: ClC(=O)CC1CC1
• InChI: InChI=1S/C5H7ClO/c6-5(7)3-4-1-2-4/h4H,1-3H2
• InChIKey: IALGRRFZGRXFKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropylacetyl chloride
• IUPAC Traditional name: 2-cyclopropylacetyl chloride
• Synonyms: 2-cyclopropylacetyl chloride

Database IDs

• MDL Number: MFCD11110393
• PubChem SID: 164329469
• PubChem CID: 14326268

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2783816
• LogD (pH = 7.4): 1.2783816
• Log P: 1.2783816
• Molar Refractivity: 28.4765 cm^3
• Polarizability: 11.18999 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.104

Product Information

• Purity: 95%