Basic information
- CAS
62881-00-9- Standard SMILES
CCOC(=O)Nc1ccc(C)c(N=C=O)c1- InChIKey
SZWCWCPFYUULKX-UHFFFAOYSA-N- Molecular formula
- C11H12N2O3
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.08479225
Names & identifiers
- Preferred name
- Ethyl (3-isocyanato-4-methylphenyl)carbamate
- IUPAC
- ethyl N-(3-isocyanato-4-methylphenyl)carbamate
Names & synonyms
62881-00-9Ethyl (3-isocyanato-4-methylphenyl)carbamateSCHEMBL10815545DTXSID60603298
Database identifiers
- CAS
62881-00-9- PubChem CID
- 20187005
- DTXSID
DTXSID60603298
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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