Ethyl 4,6-bis(trichloromethyl)-1,3,5-triazine-2-carboxylate
Basic information
- CAS
30863-22-0- Standard SMILES
CCOC(=O)c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1- InChIKey
HKGLNEXDSSLWOA-UHFFFAOYSA-N- Molecular formula
- C8H5Cl6N3O2
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 384.851293
Names & identifiers
- Preferred name
- Ethyl 4,6-bis(trichloromethyl)-1,3,5-triazine-2-carboxylate
- IUPAC
- ethyl 4,6-bis(trichloromethyl)-1,3,5-triazine-2-carboxylate
Names & synonyms
ethyl 4,6-bis(trichloromethyl)-1,3,5-triazine-2-carboxylate30863-22-0DTXSID90275321
Database identifiers
- CAS
30863-22-0- PubChem CID
- 35556
- DTXSID
DTXSID90275321- Nikkaji
- J1.615.179C
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 309
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Compound notes
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