Basic information
- CAS
80179-72-2- Standard SMILES
CCOC(=O)NCc1cccc(Cl)c1- InChIKey
WBCXMOQGQMCRQR-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO2
- Average molar mass
- 213.66 g/mol
- Monoisotopic mass
- 213.0556563
Names & identifiers
- Preferred name
- Ethyl 3-chlorobenzylcarbamate
- IUPAC
- ethyl N-[(3-chlorophenyl)methyl]carbamate
Names & synonyms
ethyl 3-chlorobenzylcarbamate80179-72-2SCHEMBL6331303DTXSID40589268WBCXMOQGQMCRQR-UHFFFAOYSA-NAKOS008932312Ethyl [(3-chlorophenyl)methyl]carbamate
Database identifiers
- CAS
80179-72-2- PubChem CID
- 17071127
- DTXSID
DTXSID40589268
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
Related reactions
3 records
Compound notes
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