Basic information
- CAS
94166-35-5- Standard SMILES
Cc1ccc(N=C=O)cc1Cc1ccccc1N=C=O- InChIKey
UAWLZSHOYIKAEE-UHFFFAOYSA-N- Molecular formula
- C16H12N2O2
- Average molar mass
- 264.28 g/mol
- Monoisotopic mass
- 264.08987763
Names & identifiers
- Preferred name
- 3-(o-Isocyanatobenzyl)-p-tolyl isocyanate
- IUPAC
- 4-isocyanato-2-[(2-isocyanatophenyl)methyl]-1-methylbenzene
- English name
- 3-(o-isocyanatobenzyl)-p-tolyl isocyanate
- Molecular formula
- C16H12N2O2
- Molecular weight
- 264.27868
Names & synonyms
94166-35-53-(o-Isocyanatobenzyl)-p-tolyl isocyanateEINECS 303-331-14-isocyanato-2-[(2-isocyanatophenyl)methyl]-1-methylbenzeneSCHEMBL9813344DTXSID20916215UAWLZSHOYIKAEE-UHFFFAOYSA-NNS000662764-(Isocyanato)-2-[(2-isocyanatophenyl)methyl]-1-methylbenzene
Database identifiers
- CAS
94166-35-5- PubChem CID
- 3023906
- DTXSID
DTXSID20916215- EC Number
- 303-331-1
- Nikkaji
- J319.001C
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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