2-chloro-7-nitro-9H-fluorene

• ChemBase ID: 150887
• Molecular Formular: C13H8ClNO2
• Molecular Mass: 245.66112
• Monoisotopic Mass: 245.02435618
• SMILES: c1cc2c(cc1[N+](=O)[O-])Cc1c2ccc(c1)Cl
• Canonical SMILES: Clc1ccc2c(c1)Cc1c2ccc(c1)[N+](=O)[O-]
• InChI: InChI=1S/C13H8ClNO2/c14-10-1-3-12-8(6-10)5-9-7-11(15(16)17)2-4-13(9)12/h1-4,6-7H,5H2
• InChIKey: HJFWZNLUJDRROD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-7-nitro-9H-fluorene
• IUPAC Traditional name: 2-chloro-7-nitro-9H-fluorene
• Synonyms: 2-Chloro-7-nitrofluorene; 2-氯-7-硝基芴

Database IDs

• CAS Number: 6939-05-5
• MDL Number: MFCD00010775
• PubChem SID: 162245047
• PubChem CID: 23369

CALCULATED PROPERTIES

• Acid pKa: 15.670299
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.283048
• LogD (pH = 7.4): 4.283048
• Log P: 4.283048
• Molar Refractivity: 67.0029 cm^3
• Polarizability: 26.019281 Å^3
• Polar Surface Area: 45.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C13H8ClNO2