Basic information
- Standard SMILES
CN(C(=O)OC(C)(C)C)c1cccc(N=C=O)c1- InChIKey
YBSROTUJSDFJFA-UHFFFAOYSA-N- Molecular formula
- C13H16N2O3
- Average molar mass
- 248.28 g/mol
Names & identifiers
- Preferred name
- 3-(N-tert-Butoxylcarbonyl-N-methylamino)phenyl isocyanate
- IUPAC
- tert-butyl N-(3-isocyanatophenyl)-N-methylcarbamate
Names & synonyms
SCHEMBL7959116YBSROTUJSDFJFA-UHFFFAOYSA-NDB-2040963-(N-tert-Butoxylcarbonyl-N-methylamino)phenyl isocyanate3-[N-(tert-butoxycarbonyl)-n-methyl-amino]phenyl isocyanate168162-32-1
Database identifiers
- PubChem CID
- 21201827
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 343
Related reactions
1 records
Linked notes
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