CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless nearly odorless liquid; Vapors have a pungent odor of isocyanates; [Merck Index] Faintly yellow-green liquid; |
|---|---|
| Chemical Classes | Toxic Gases & Vapors -> Monoisocyanates |
COMPUTED DESCRIPTORS
| Molecular Weight | 169.18 g/mol |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 169.052763847 g/mol |
| Monoisotopic Mass | 169.052763847 g/mol |
| Topological Polar Surface Area | 29.4 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 220 |
| 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 |