1-(4-chloro-2-nitrophenyl)-1-methylhydrazine

• ChemBase ID: 79037
• Molecular Formular: C7H8ClN3O2
• Molecular Mass: 201.61032
• Monoisotopic Mass: 201.03050419
• SMILES: [N+](=O)(c1cc(ccc1N(N)C)Cl)[O-]
• Canonical SMILES: Clc1ccc(c(c1)[N+](=O)[O-])N(N)C
• InChI: InChI=1S/C7H8ClN3O2/c1-10(9)6-3-2-5(8)4-7(6)11(12)13/h2-4H,9H2,1H3
• InChIKey: HFQXJEUTSLSDEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-chloro-2-nitrophenyl)-1-methylhydrazine
• IUPAC Traditional name: 1-(4-chloro-2-nitrophenyl)-1-methylhydrazine
• Synonyms: 1-(4-chloro-2-nitrophenyl)-1-methylhydrazine

Database IDs

• MDL Number: MFCD00828775
• PubChem SID: 162043800
• PubChem CID: 587505

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8034662
• LogD (pH = 7.4): 1.953541
• Log P: 1.9558334
• Molar Refractivity: 61.6995 cm^3
• Polarizability: 18.5523 Å^3
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true