Basic information
- CAS
21441-01-0- Standard SMILES
CC1(C)OC(=O)Nc2c(Cl)cc(Cl)cc21- InChIKey
MTQBQKRLIDTQKB-UHFFFAOYSA-N- Molecular formula
- C10H9Cl2NO2
- Average molar mass
- 246.09 g/mol
- Monoisotopic mass
- 245.0010339
Names & identifiers
- Preferred name
- 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-6,8-dichloro-4,4-dimethyl-
- IUPAC
- 6,8-dichloro-4,4-dimethyl-1H-3,1-benzoxazin-2-one
- English name
- 6,8-Dichloro-1,4-dihydro-4,4-dimethyl-2H-3,1-benzoxazin-2-one
- Molecular formula
- C10H9Cl2NO2
- Molecular weight
- 246.09
Names & synonyms
21441-01-0BRN 06517204H-3,1-BENZOXAZIN-2-ONE, 1,2-DIHYDRO-6,8-DICHLORO-4,4-DIMETHYL-DTXSID901757116,8-Dichloro-1,2-dihydro-4,4-dimethyl-4H-3,1-benzoxazin-2-oneRefChem:297453DTXCID10982026,8-Dichloro-1,4-dihydro-4,4-dimethyl-2H-3,1-benzoxazin-2-one6,8-Dichloro-4,4-dimethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one2H-3,1-Benzoxazin-2-one, 6,8-dichloro-1,4-dihydro-4,4-dimethyl-
Database identifiers
- CAS
21441-01-0- PubChem CID
- 30632
- DTXSID
DTXSID90175711- Nikkaji
- J41.907I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Melting point
- 180 °C · 180 °C
- Boiling point
- 283.9 · 283.9±40.0 °C(Predicted)
- Density
- 1.351 · 1.351±0.06 g/cm3(Predicted)
- pka
- 11.56 · 11.56±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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