7-nitronaphthalen-2-amine

• ChemBase ID: 112584
• Molecular Formular: C10H8N2O2
• Molecular Mass: 188.18272
• Monoisotopic Mass: 188.05857751
• SMILES: Nc1ccc2ccc(cc2c1)[N+](=O)[O-]
• Canonical SMILES: Nc1ccc2c(c1)cc(cc2)[N+](=O)[O-]
• InChI: InChI=1S/C10H8N2O2/c11-9-3-1-7-2-4-10(12(13)14)6-8(7)5-9/h1-6H,11H2
• InChIKey: KRHGMPUYSBHCPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-nitronaphthalen-2-amine
• IUPAC Traditional name: 7-nitronaphthalen-2-amine
• Synonyms: 2-NITRO-7-NAPHTHYLAMINE

Database IDs

• PubChem SID: 162106834
• PubChem CID: 15407100

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0660362
• LogD (pH = 7.4): 2.0736825
• Log P: 2.0737808
• Molar Refractivity: 54.5333 cm^3
• Polarizability: 20.826298 Å^3
• Polar Surface Area: 71.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05224735

MP Biomedicals Rare Chemical collection