ethyl 2-chloro-2-(cyclopropylimino)acetate

• ChemBase ID: 245938
• Molecular Formular: C7H10ClNO2
• Molecular Mass: 175.6128
• Monoisotopic Mass: 175.04000625
• SMILES: C(=N\C1CC1)(/C(=O)OCC)\Cl
• Canonical SMILES: CCOC(=O)/C(=N/C1CC1)/Cl
• InChI: InChI=1S/C7H10ClNO2/c1-2-11-7(10)6(8)9-5-3-4-5/h5H,2-4H2,1H3
• InChIKey: MFEHZTBKRQVZLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-chloro-2-(cyclopropylimino)acetate
• IUPAC Traditional name: ethyl 2-chloro-2-(cyclopropylimino)acetate
• Synonyms: ethyl 2-chloro-2-(cyclopropylimino)acetate

Database IDs

• MDL Number: MFCD23144182
• PubChem SID: 164301848
• PubChem CID: 71757834

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7075154
• LogD (pH = 7.4): 1.7075155
• Log P: 1.7075155
• Molar Refractivity: 41.9798 cm^3
• Polarizability: 16.335001 Å^3
• Polar Surface Area: 38.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.429

Product Information

• Purity: 95%