Basic information
- CAS
94166-36-6- Standard SMILES
Cc1c(Cc2ccccc2N=C=O)cccc1N=C=O- InChIKey
AYEGYNYLXCZWQH-UHFFFAOYSA-N- Molecular formula
- C16H12N2O2
- Average molar mass
- 264.28 g/mol
- Monoisotopic mass
- 264.08987763
Names & identifiers
- Preferred name
- 3-(o-Isocyanatobenzyl)-o-tolyl isocyanate
- IUPAC
- 1-isocyanato-3-[(2-isocyanatophenyl)methyl]-2-methylbenzene
- English name
- 3-(o-isocyanatobenzyl)-o-tolyl isocyanate
- Molecular formula
- C16H12N2O2
- Molecular weight
- 264.27868
Names & synonyms
3-(o-Isocyanatobenzyl)-o-tolyl isocyanateEINECS 303-332-794166-36-61-isocyanato-3-[(2-isocyanatophenyl)methyl]-2-methylbenzeneSCHEMBL10652352DTXSID60240905NS000402021-(Isocyanato)-3-[(2-isocyanatophenyl)methyl]-2-methylbenzene
Database identifiers
- CAS
94166-36-6- PubChem CID
- 3023907
- DTXSID
DTXSID60240905- EC Number
- 303-332-7
- Nikkaji
- J319.002A
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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