178603-76-4
Product Name:
Benzene, 1-fluoro-4-nitro-, labeled with carbon-14 (9CI)
Formula:
C6H4FNO2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Yellow solid; [HSDB] Liquid or low melting solid; mp = 22-24 deg C; [MSDSonline] |
|---|---|
| Color/Form | YELLOW NEEDLES |
| Boiling Point | 206-207 °C |
| Melting Point | 27 °C |
| Solubility | SOL IN ALCOHOL, ETHER; INSOL IN WATER |
| Density | 1.3300 @ 20 °C/4 °C |
| Vapor Pressure | 0.29 [mmHg] |
| Refractive Index | MAX ABSORPTION (ALCOHOL): 212 NM (LOG E= 4.0); 263 NM (LOG E= 3.9); INDEX OF REFRACTION: 1.5316 @ 20 °C/D |
| Other Experimental Properties | UV: 9648 (Sadtler Research Laboratories Spectral Collection) /Benzene, 1-fluoro-3-nitro/ |
| Chemical Classes | Nitrogen Compounds -> Nitros, Aromatic |
COMPUTED DESCRIPTORS
| Molecular Weight | 141.10 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 141.02260653 g/mol |
| Monoisotopic Mass | 141.02260653 g/mol |
| Topological Polar Surface Area | 45.8 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 126 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |