Basic information
- CAS
81110-80-7- Standard SMILES
NC(=O)Nc1cc2oc(=O)[nH]c2cc1Cl- InChIKey
JTPXBHLFGSCVTN-UHFFFAOYSA-N- Molecular formula
- C8H6ClN3O3
- Average molar mass
- 227.6 g/mol
- Monoisotopic mass
- 227.0097688
Names & identifiers
- Preferred name
- Urea, (5-chloro-2,3-dihydro-2-oxo-6-benzoxazolyl)-
- IUPAC
- (5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)urea
Names & synonyms
Urea, (5-chloro-2,3-dihydro-2-oxo-6-benzoxazolyl)-NSC 3554045-Chloro-6-carbamide-benzoxazolinone-281110-80-7(5-Chloro-2,3-dihydro-2-oxo-6-benzoxazolyl)ureaDTXSID20230903RefChem:387121DTXCID10153394NSC355404NSC-355404N-(5-Chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)urea
Database identifiers
- CAS
81110-80-7- PubChem CID
- 100729
- DTXSID
DTXSID20230903
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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