Basic information
- Standard SMILES
Cc1ccccc1.[N-]=C=O.[N-]=C=O- InChIKey
FZDRZJKVIDHUAE-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2-2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Names & identifiers
- Preferred name
- Toluenediisocyanate
- IUPAC
- toluene diisocyanate
Names & synonyms
toluene di-isocyanateTOLUENEDIISOCYANATEFZDRZJKVIDHUAE-UHFFFAOYSA-NAKOS024437751
Database identifiers
- PubChem CID
- 21584847
Properties
Computed structural properties
- Topological polar surface area
- 36.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- -2
- Complexity
- 69.8
Related reactions
1 records
Compound notes
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