Basic information
- CAS
138035-69-5- Standard SMILES
COc1cc(Cl)c2c(c1)OCC(=O)N2- InChIKey
GFCZFHKDHHJTJN-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO3
- Average molar mass
- 213.62 g/mol
- Monoisotopic mass
- 213.0192708
Names & identifiers
- Preferred name
- 5-Chloro-7-methoxy-2H-1,4-benzoxazin-3(4H)-one
- IUPAC
- 5-chloro-7-methoxy-4H-1,4-benzoxazin-3-one
Names & synonyms
DTXSID5012471315-Chloro-7-methoxy-2H-1,4-benzoxazin-3(4H)-one138035-69-5
Database identifiers
- CAS
138035-69-5- PubChem CID
- 85620439
- DTXSID
DTXSID501247131
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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