2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-(4-chlorophenyl)-3,6-dimethyl-
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Basic information
- CAS
32000-80-9- Standard SMILES
Cc1c(Br)c(=O)n(C)c(=O)n1-c1ccc(Cl)cc1- InChIKey
AGQRXQWWIXPGKL-UHFFFAOYSA-N- Molecular formula
- C12H10BrClN2O2
- Average molar mass
- 329.57 g/mol
- Monoisotopic mass
- 327.96142
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-(4-chlorophenyl)-3,6-dimethyl-
- IUPAC
- 5-bromo-1-(4-chlorophenyl)-3,6-dimethylpyrimidine-2,4-dione
- English name
- 5-bromo-1-(4-chlorophenyl)-3,6-dimethyl-pyrimidine-2,4-dione
- Molecular formula
- C12H10BrClN2O2
- Molecular weight
- 329.58
Names & synonyms
32000-80-9BRN 08015572,4(1H,3H)-Pyrimidinedione, 5-bromo-1-(4-chlorophenyl)-3,6-dimethyl-DTXSID201858435-24-07-00042 (Beilstein Handbook Reference)5-Bromo-1-(4-chlorophenyl)-3,6-dimethyl-2,4(1H,3H)-pyrimidinedioneRefChem:245349DTXCID601083345-bromo-1-(4-chlorophenyl)-3,6-dimethylpyrimidine-2,4(1h,3h)-dione5-BROMO-1-(4-CHLOROPHENYL)-3,6-DIMETHYL-PYRIMIDINE-2,4-DIONE
Database identifiers
- CAS
32000-80-9- PubChem CID
- 208334
- DTXSID
DTXSID20185843
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- Boiling point
- 396.1 · 396.1±52.0 °C(Predicted)
- Density
- 1.636 · 1.636±0.06 g/cm3(Predicted)
- pka
- -3 · -3.00±0.60(Predicted)
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Compound notes
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