6-[(2,4-Dichlorophenyl)methyl]-1,2,4-triazine-3,5(2H,4H)-dione
Basic information
- CAS
90723-91-4- Standard SMILES
O=c1[nH]nc(Cc2ccc(Cl)cc2Cl)c(=O)[nH]1- InChIKey
MHNDGFUEVUGXPK-UHFFFAOYSA-N- Molecular formula
- C10H7Cl2N3O2
- Average molar mass
- 272.08 g/mol
- Monoisotopic mass
- 270.9915319
Names & identifiers
- Preferred name
- 6-[(2,4-Dichlorophenyl)methyl]-1,2,4-triazine-3,5(2H,4H)-dione
- IUPAC
- 6-[(2,4-dichlorophenyl)methyl]-2H-1,2,4-triazine-3,5-dione
Names & synonyms
DTXSID5011775306-[(2,4-Dichlorophenyl)methyl]-1,2,4-triazine-3,5(2H,4H)-dione90723-91-4
Database identifiers
- CAS
90723-91-4- PubChem CID
- 165352003
- DTXSID
DTXSID501177530
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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