1,1-dichloro-2-nitroethene

• ChemBase ID: 279032
• Molecular Formular: C2HCl2NO2
• Molecular Mass: 141.94084
• Monoisotopic Mass: 140.93843364
• SMILES: [N+](=O)(C=C(Cl)Cl)[O-]
• Canonical SMILES: ClC(=C[N+](=O)[O-])Cl
• InChI: InChI=1S/C2HCl2NO2/c3-2(4)1-5(6)7/h1H
• InChIKey: CTFMCQGUXONREY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dichloro-2-nitroethene
• IUPAC Traditional name: 1,1-dichloro-2-nitroethene
• Synonyms: 1,1-dichloro-2-nitroethene

Database IDs

• MDL Number: MFCD21337848
• PubChem SID: 164334942
• PubChem CID: 12219571

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2785374
• LogD (pH = 7.4): 1.2785374
• Log P: 1.2785374
• Molar Refractivity: 36.6794 cm^3
• Polarizability: 10.135897 Å^3
• Polar Surface Area: 45.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.173

Product Information

• Purity: 95%