Basic information
- CAS
30362-45-9- Standard SMILES
CC(=O)OC(C)c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1- InChIKey
SWCUSZMGXWZVHW-UHFFFAOYSA-N- Molecular formula
- C9H7Cl6N3O2
- Average molar mass
- 401.9 g/mol
- Monoisotopic mass
- 398.866943
Names & identifiers
- Preferred name
- 1-[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]ethyl acetate
- IUPAC
- 1-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]ethyl acetate
Names & synonyms
1-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]ethyl acetate30362-45-9DTXSID10275242
Database identifiers
- CAS
30362-45-9- PubChem CID
- 35192
- DTXSID
DTXSID10275242- Nikkaji
- J1.613.799E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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