1-(4-Chlorobenzyl)-3-methylurea
Basic information
- CAS
13278-62-1- Standard SMILES
CNC(=O)NCc1ccc(Cl)cc1- InChIKey
HVAYRAHLBHKAFM-UHFFFAOYSA-N- Molecular formula
- C9H11ClN2O
- Average molar mass
- 198.65 g/mol
- Monoisotopic mass
- 198.0559907
Names & identifiers
- Preferred name
- 1-(4-Chlorobenzyl)-3-methylurea
- IUPAC
- 1-[(4-chlorophenyl)methyl]-3-methylurea
Names & synonyms
13278-62-1Urea,N-[(4-chlorophenyl)methyl]-N'-methyl-N-(4-chlorobenzyl)-N'-methylureaN-[(4-Chlorophenyl)methyl]-N'-methylurea1-(4-chlorobenzyl)-3-methylureaNSC759371-[(4-chlorophenyl)methyl]-3-methylureaNCIOpen2_000658DTXSID00870023NSC-75937STK520711AKOS004093118
Database identifiers
- CAS
13278-62-1- PubChem CID
- 253254
- DTXSID
DTXSID00870023
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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