Benzonitrile
CAS Number: 100-47-0
Molecular Mass: 103.12 g/mol
Formula: C7H5N
Smiles: N#Cc1ccccc1
Melting point: -12.82 °C
Boiling point: 190.7 °C
Density: 1.0093 g/cm3
Dipole moment: 3.94 D
Refractive index: 1.5289
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 88.9926 |
| PMI2 | 328.3699 |
| PMI3 | 417.3624 |
| NPR1 | 0.2132 |
| NPR2 | 0.7868 |
| RadiusOfGyration | 2.0118 |
| InertialShapeFactor | 0.0088 |
| Eccentricity | 0.9770 |
| Asphericity | 0.4967 |
| SpherocityIndex | 0.0000 |
| PBF | 0.0000 |