Basic information
- CAS
338961-50-5- Standard SMILES
Fc1cccc(F)c1-c1nnnn1-c1cc(OCc2ccccc2)c(Cl)cc1Cl- InChIKey
NRYGRSFDCITIQH-UHFFFAOYSA-N- Molecular formula
- C20H12Cl2F2N4O
- Average molar mass
- 433.2 g/mol
Names & identifiers
- Preferred name
- 1-(5-(Benzyloxy)-2,4-dichlorophenyl)-5-(2,6-difluorophenyl)-1H-1,2,3,4-tetraazole
- IUPAC
- 1-(2,4-dichloro-5-phenylmethoxyphenyl)-5-(2,6-difluorophenyl)tetrazole
- English name
- 1-[5-(Benzyloxy)-2,4-dichlorophenyl]-5-(2,6-difluorophenyl)-1H-1,2,3,4-tetraazole
- Molecular formula
- C20H12Cl2F2N4O
- Molecular weight
- 433.24
Names & synonyms
338961-50-51-(5-(Benzyloxy)-2,4-dichlorophenyl)-5-(2,6-difluorophenyl)-1H-1,2,3,4-tetraazole1-(2,4-dichloro-5-phenylmethoxyphenyl)-5-(2,6-difluorophenyl)tetrazole1-[5-(benzyloxy)-2,4-dichlorophenyl]-5-(2,6-difluorophenyl)-1H-1,2,3,4-tetrazoleOprea1_870520AKOS0050956325L-617S1-(5-(benzyloxy)-2,4-dichlorophenyl)-5-(2,6-difluorophenyl)-1H-tetrazole1H-Tetrazole, 1-[2,4-dichloro-5-(phenylmethoxy)phenyl]-5-(2,6-difluorophenyl)-1-[5-(Benzyloxy)-2,4-dichlorophenyl]-5-(2,6-difluorophenyl)-1H-1,2,3,4-tetraazoleBENZYL 2,4-DICHLORO-5-[5-(2,6-DIFLUOROPHENYL)-1H-1,2,3,4-TETRAAZOL-1-YL]PHENYL ETHER
Database identifiers
- CAS
338961-50-5
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 521
Physicochemical properties
- Boiling point
- 576.6 · 576.6±60.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- -0.44 · -0.44±0.10(Predicted)
Chemistry & industry
Suppliers5 total
Carbone Scientific CO., LTD[email protected]
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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