5-((2-Isocyanatocyclohexyl)methyl)-o-tolyl isocyanate
Basic information
- CAS
94166-78-6- Standard SMILES
Cc1ccc(CC2CCCCC2N=C=O)cc1N=C=O- InChIKey
FMDRDYRSPCQUOF-UHFFFAOYSA-N- Molecular formula
- C16H18N2O2
- Average molar mass
- 270.33 g/mol
- Monoisotopic mass
- 270.13682782
Names & identifiers
- Preferred name
- 5-((2-Isocyanatocyclohexyl)methyl)-o-tolyl isocyanate
- IUPAC
- 2-isocyanato-4-[(2-isocyanatocyclohexyl)methyl]-1-methylbenzene
- English name
- 5-[(2-isocyanatocyclohexyl)methyl]-o-tolyl isocyanate
- Molecular formula
- C16H18N2O2
- Molecular weight
- 270.32632
Names & synonyms
EINECS 303-376-794166-78-65-((2-Isocyanatocyclohexyl)methyl)-o-tolyl isocyanate2-isocyanato-4-[(2-isocyanatocyclohexyl)methyl]-1-methylbenzeneDTXSID50916208FMDRDYRSPCQUOF-UHFFFAOYSA-NNS000667175-[(2-isocyanatocyclohexyl)methyl]-o-tolyl isocyanate
Database identifiers
- CAS
94166-78-6- PubChem CID
- 3023928
- DTXSID
DTXSID50916208- EC Number
- 303-376-7
- Nikkaji
- J319.033A
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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