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

• ChemBase ID: 81458
• Molecular Formular: C8H8ClN3O2
• Molecular Mass: 213.62102
• Monoisotopic Mass: 213.03050419
• SMILES: [N+](=O)(c1ccc(c(c1)/C(=N/N)/C)Cl)[O-]
• Canonical SMILES: N/N=C(/c1cc(ccc1Cl)[N+](=O)[O-])\C
• InChI: InChI=1S/C8H8ClN3O2/c1-5(11-10)7-4-6(12(13)14)2-3-8(7)9/h2-4H,10H2,1H3
• InChIKey: XXNREGWCGVDDQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00830010
• PubChem SID: 162068577
• PubChem CID: 9582161

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7910026
• LogD (pH = 7.4): 1.7911067
• Log P: 1.791108
• Molar Refractivity: 55.1315 cm^3
• Polarizability: 19.97409 Å^3
• Polar Surface Area: 84.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true