2-Chloro-4,6-diphenoxy-1,3,5-triazine
Basic information
- CAS
2972-65-8- Standard SMILES
Clc1nc(Oc2ccccc2)nc(Oc2ccccc2)n1- InChIKey
WPAYYYDSSCOEHN-UHFFFAOYSA-N- Molecular formula
- C15H10ClN3O2
- Average molar mass
- 299.71 g/mol
- Monoisotopic mass
- 299.0461543
Names & identifiers
- Preferred name
- 2-Chloro-4,6-diphenoxy-1,3,5-triazine
- IUPAC
- 2-chloro-4,6-diphenoxy-1,3,5-triazine
- English name
- 2,4-Diphenoxy-6-chloro-1,3,5-triazine
- Molecular formula
- C15H10ClN3O2
- Molecular weight
- 299.71
Names & synonyms
2-chloro-4,6-diphenoxy-1,3,5-triazine2972-65-8DTXSID40274602RefChem:258660DTXCID502260712,4-Diphenoxy-6-chloro-1,3,5-triazineNSC764832-CHLORO-4,6-DIPHENOXY-S-TRIAZINENCIOpen2_004073SCHEMBL49317WPAYYYDSSCOEHN-UHFFFAOYSA-N2,4-diphenoxy-6-chloro-s-triazine
Show more names
1,3,5-Triazine, 2-chloro-4,6-diphenoxy-
NSC-76483STL378505AKOS0004145841,5-Triazine, 2-chloro-4,6-diphenoxy-2-chloro-4,6-diphenoxy-1,3,5-tri-azineDS-0082622,4-bis(phenoxy)-6-chloro-1,3,5-triazine1,3,5-TRIAZINE,2-CHLORO-4,6-DIPHENOXY-
Database identifiers
- CAS
2972-65-8- PubChem CID
- 18088
- DTXSID
DTXSID40274602- Nikkaji
- J33.214C
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Melting point
- 119 · 119-121 °C(Solv: hexane (110-54-3))
- Boiling point
- 480 · 480.0±28.0 °C(Predicted)
- Density
- 1.348 · 1.348±0.06 g/cm3(Predicted)
- pka
- -1.51 · -1.51±0.10(Predicted)
Related reactions
6 records
Compound notes
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