1,2-dichloro-3-nitronaphthalene

• ChemBase ID: 107562
• Molecular Formular: C10H5Cl2NO2
• Molecular Mass: 242.0582
• Monoisotopic Mass: 240.96973377
• SMILES: [O-][N+](=O)c1c(Cl)c(Cl)c2ccccc2c1
• Canonical SMILES: [O-][N+](=O)c1cc2ccccc2c(c1Cl)Cl
• InChI: InChI=1S/C10H5Cl2NO2/c11-9-7-4-2-1-3-6(7)5-8(10(9)12)13(14)15/h1-5H
• InChIKey: OYLOOSIEVLMIPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichloro-3-nitronaphthalene
• IUPAC Traditional name: 1,2-dichloro-3-nitronaphthalene
• Synonyms: 1,2-DICHLORO-3-NITRONAPHTHALENE PRACTICAL GRADE

Database IDs

• PubChem SID: 162106070
• PubChem CID: 22611

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.110796
• LogD (pH = 7.4): 4.110796
• Log P: 4.110796
• Molar Refractivity: 59.4425 cm^3
• Polarizability: 23.524158 Å^3
• Polar Surface Area: 45.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Grade: PRACTICAL

DETAILS

MP Biomedicals - 05204177

MP Biomedicals Rare Chemical collection