Basic information
- CAS
20120-32-5- Standard SMILES
O=C(CCCl)N1CN(C(=O)CCCl)CN(C(=O)CCCl)C1- InChIKey
WCXJRMAQDBCAKU-UHFFFAOYSA-N- Molecular formula
- C12H18Cl3N3O3
- Average molar mass
- 358.6 g/mol
- Monoisotopic mass
- 357.041375
Names & identifiers
- Preferred name
- 1,3,5-Tris(3-chloropropanoyl)-1,3,5-triazinane
- IUPAC
- 1-[3,5-bis(3-chloropropanoyl)-1,3,5-triazinan-1-yl]-3-chloropropan-1-one
Names & synonyms
20120-32-51,3,5-tris(3-chloropropanoyl)-1,3,5-triazinaneSCHEMBL11778940DTXSID802748881,1',1''-(1,3,5-triazinane-1,3,5-triyl)tris(3-chloropropan-1-one)
Database identifiers
- CAS
20120-32-5- PubChem CID
- 29958
- DTXSID
DTXSID80274888- Nikkaji
- J1.608.985K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…