1-[1-(2-chloro-5-nitrophenyl)ethylidene]-2-methylhydrazine

• ChemBase ID: 81459
• Molecular Formular: C9H10ClN3O2
• Molecular Mass: 227.6476
• Monoisotopic Mass: 227.04615426
• SMILES: [N+](=O)(c1ccc(c(c1)/C(=N/NC)/C)Cl)[O-]
• Canonical SMILES: [O-][N+](=O)c1cc(/C(=N/NC)/C)c(cc1)Cl
• InChI: InChI=1S/C9H10ClN3O2/c1-6(12-11-2)8-5-7(13(14)15)3-4-9(8)10/h3-5,11H,1-2H3
• InChIKey: JVXRWEKGPXHFAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(2-chloro-5-nitrophenyl)ethylidene]-2-methylhydrazine
• IUPAC Traditional name: 1-[1-(2-chloro-5-nitrophenyl)ethylidene]-2-methylhydrazine
• Synonyms: 1-(2-chloro-5-nitrophenyl)ethan-1-one 1-methylhydrazone

Database IDs

• MDL Number: MFCD00830011
• PubChem SID: 162068578
• PubChem CID: 9582162

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.014659
• LogD (pH = 7.4): 2.0147824
• Log P: 2.014784
• Molar Refractivity: 69.459 cm^3
• Polarizability: 21.79906 Å^3
• Polar Surface Area: 70.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true