2-Nitrofluorene

• Catalog Number: ACM607578
• Product Name: 2-Nitrofluorene
• CAS: 607-57-8
• Category: Heterocyclic Organic Compound
• Description: 2-nitrofluorene is a cream-colored solid. (NTP, 1992)
• IUPAC Name: 2-nitro-9H-fluorene
• Molecular Weight: 211.22g/mol
• Molecular Formula: C13H9NO2
• Canonical SMILES: C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-]
• InChI: InChI=1S/C13H9NO2/c15-14(16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2
• InChI Key: XFOHWECQTFIEIX-UHFFFAOYSA-N
• Melting Point: 316 °F (NTP, 1992);157.0 °C;158 °C
• Solubility: less than 1 mg/mL at 70° F (NTP, 1992);1.02e-06 M;INSOL IN WATER;SOL IN ACETONE, BENZENE;Water solubility of 1.73 mg/l at 25 °C (est)
• Color/Form: NEEDLES
• Complexity: 286
• Covalently-Bonded Unit Count: 1
• Decomposition: When heated to decomp it emits fumes of /nitrogen oxides/.
• EC Number: 210-138-5
• Exact Mass: 211.063329g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 16
• LogP: 3.37 (LogP);log Kow= 3.97 (est)
• Monoisotopic Mass: 211.063329g/mol
• NSC Number: 5182
• Rotatable Bond Count: 0
• UNII: 191LL4U4GZ
• XLogP3: 3.7