Basic information
- CAS
81117-82-0- Standard SMILES
Cn1c(=O)oc2cc(NC(N)=O)c(Cl)cc21- InChIKey
DUQJMEGGJHZJNM-UHFFFAOYSA-N- Molecular formula
- C9H8ClN3O3
- Average molar mass
- 241.63 g/mol
- Monoisotopic mass
- 241.0254188
Names & identifiers
- Preferred name
- Urea, (5-chloro-2,3-dihydro-3-methyl-2-oxo-6-benzoxazolyl)-
- IUPAC
- (5-chloro-3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea
Names & synonyms
Urea, (5-chloro-2,3-dihydro-3-methyl-2-oxo-6-benzoxazolyl)-81117-82-05-Chloro-3-methyl-6-carbamide-benzoxazolinone-2(5-Chloro-2,3-dihydro-3-methyl-2-oxo-6-benzoxazolyl)ureaDTXSID00230906NSC 355405RefChem:387122DTXCID90153397NSC355405NSC-355405N-(5-Chloro-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)urea
Database identifiers
- CAS
81117-82-0- PubChem CID
- 100730
- DTXSID
DTXSID00230906
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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