Basic information
- CAS
352685-87-1- Standard SMILES
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OC- InChIKey
RBZYNWAQOOCVMH-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2O5
- Average molar mass
- 310.69 g/mol
- Monoisotopic mass
- 310.0356491
Names & identifiers
- Preferred name
- 5-[(3-Chloro-4,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
- English name
- 5-(3-chloro-4,5-dimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C13H11ClN2O5
- Molecular weight
- 310.69
Names & synonyms
5-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione5-(3-chloro-4,5-dimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trioneSTK079031AKOS001487350AK-968/121171605-(3-chloro-4,5-dimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(3-chloro-4,5-dimethoxyphenyl)methylene]-
Database identifiers
- CAS
352685-87-1- PubChem CID
- 3275069
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 471
Physicochemical properties
- Density
- 1.44 · 1.440±0.06 g/cm3(Predicted)
- pka
- 6.89 · 6.89±0.20(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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