1-Bromopropane
CAS Number: 106-94-5
Molecular Mass: 122.99 g/mol
Formula: C3H7Br
Smiles: CCCBr
Melting point: -110.0 °C
Boiling point: 71.0 °C
Density: 1.3537 g/cm3
Dipole moment: 2.18 D
Refractive index: 1.4343
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 44.1072 |
| PMI2 | 227.7970 |
| PMI3 | 252.1677 |
| NPR1 | 0.1749 |
| NPR2 | 0.9034 |
| RadiusOfGyration | 1.4596 |
| InertialShapeFactor | 0.0205 |
| Eccentricity | 0.9846 |
| Asphericity | 0.5653 |
| SpherocityIndex | 0.5157 |
| PBF | 0.5592 |