9-nitroanthracene

• Catalog Number: ACM602608
• Product Name: 9-nitroanthracene
• CAS: 602-60-8
• Category: Heterocyclic Organic Compound
• Description: 9-nitroanthracene is a yellow solid. (NTP, 1992)
• Synonyms: 5-Nitroanthracene
• IUPAC Name: 9-nitroanthracene
• Molecular Weight: 223.23
• Molecular Formula: C14H9NO2
• Canonical SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2[N+](=O)[O-]
• InChI: InChI=1S/C14H9NO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
• InChI Key: LSIKFJXEYJIZNB-UHFFFAOYSA-N
• Boiling Point: 275 ºC 17mmHg
• Melting Point: 141-144 ºC
• Density: 1.1814 g/ml
• Solubility: less than 0.1 mg/mL at 64° F (NTP, 1992);5.11e-07 M
• Complexity: 277
• Covalently-Bonded Unit Count: 1
• EC Number: 210-021-9
• Exact Mass: 223.063329g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 17
• LogP: 4.78 (LogP)
• Monoisotopic Mass: 223.063329g/mol
• NSC Number: 47175
• Rotatable Bond Count: 0
• UNII: JZ1TB3N57P
• XLogP3: 4.8