Ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate
Basic information
- CAS
125989-27-7- Standard SMILES
CCOC(=O)c1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1- InChIKey
LWZPIZOSRVHWFX-UHFFFAOYSA-N- Molecular formula
- C14H9Cl6N3O2
- Average molar mass
- 463.9 g/mol
- Monoisotopic mass
- 460.882593
Names & identifiers
- Preferred name
- Ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate
- IUPAC
- ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate
Names & synonyms
125989-27-7Ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoateSCHEMBL124262DTXSID60348298LWZPIZOSRVHWFX-UHFFFAOYSA-NEthyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate #p-[4,6-Bis[trichloromethyl]-S-triazin-2-yl]benzoic acid ethyl ester
Database identifiers
- CAS
125989-27-7- PubChem CID
- 634510
- DTXSID
DTXSID60348298
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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