Basic information
- CAS
87919-32-2- Standard SMILES
CCC(CO)NC(=O)Nc1ccc(C)c(Cl)c1- InChIKey
BDGHWHXNVAXQLC-UHFFFAOYSA-N- Molecular formula
- C12H17ClN2O2
- Average molar mass
- 256.73 g/mol
- Monoisotopic mass
- 256.0978555
Names & identifiers
- Preferred name
- 1-(3-Chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)urea
- IUPAC
- 1-(3-chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)urea
Names & synonyms
87919-32-21-(3-chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)ureaDTXSID401007867AKOS005839070N-(3-Chloro-4-methylphenyl)-N'-(1-hydroxybutan-2-yl)carbamimidic acid
Database identifiers
- CAS
87919-32-2- PubChem CID
- 187656
- DTXSID
DTXSID401007867
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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