Basic information
- CAS
13212-63-0- Standard SMILES
O=C1COc2ccc(Cl)cc2N1O- InChIKey
YULGZUDKZCSWDA-UHFFFAOYSA-N- Molecular formula
- C8H6ClNO3
- Average molar mass
- 199.59 g/mol
- Monoisotopic mass
- 199.0036207
Names & identifiers
- Preferred name
- 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-hydroxy-
- IUPAC
- 6-chloro-4-hydroxy-1,4-benzoxazin-3-one
- English name
- 4-Hydroxy-6-chloro-2,3-dihydro-4H-1,4-benzooxazine-3-one
- Molecular formula
- C8H6ClNO3
- Molecular weight
- 199.59
Names & synonyms
13212-63-02H-1,4-Benzoxazin-3(4H)-one, 6-chloro-4-hydroxy-6-Chloro-4-hydroxy-2H-1,4-benzoxazin-3(4H)-one4-Hydroxy-6-chloro-2,3-dihydro-4H-1,4-benzooxazine-3-one6-chloro-4-hydroxy-1,4-benzoxazin-3-one6-Cl-D-DIBOASCHEMBL4267274CHEMBL2270714DTXSID60157362YULGZUDKZCSWDA-UHFFFAOYSA-N6-Chloro-4-hydroxy-2H-1,4-benzoxazin-3(4H)-one #
Database identifiers
- CAS
13212-63-0- PubChem CID
- 83236
- DTXSID
DTXSID60157362- ChEMBL
CHEMBL2270714- Nikkaji
- J99.597E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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