2-methylcyclopropane-1-carbonyl chloride

• ChemBase ID: 247513
• Molecular Formular: C5H7ClO
• Molecular Mass: 118.56148
• Monoisotopic Mass: 118.01854252
• SMILES: C1(CC1C)C(=O)Cl
• Canonical SMILES: CC1CC1C(=O)Cl
• InChI: InChI=1S/C5H7ClO/c1-3-2-4(3)5(6)7/h3-4H,2H2,1H3
• InChIKey: KNSMKLZZQPGJRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylcyclopropane-1-carbonyl chloride
• IUPAC Traditional name: 2-methylcyclopropane-1-carbonyl chloride
• Synonyms: 2-methylcyclopropane-1-carbonyl chloride

Database IDs

• MDL Number: MFCD03422907
• PubChem SID: 164303423
• PubChem CID: 316891

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3767992
• LogD (pH = 7.4): 1.3767992
• Log P: 1.3767992
• Molar Refractivity: 28.45 cm^3
• Polarizability: 11.190289 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.234

Product Information

• Purity: 95%