2,4-Dichloro-5-(5-(2-chlorophenyl)-1H-1,2,3,4-tetraazol-1-yl)phenyl isopropyl ether
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Basic information
- CAS
338961-45-8- Standard SMILES
CC(C)Oc1cc(-n2nnnc2-c2ccccc2Cl)c(Cl)cc1Cl- InChIKey
ONXWFSGEIZXYFL-UHFFFAOYSA-N- Molecular formula
- C16H13Cl3N4O
- Average molar mass
- 383.7 g/mol
- Monoisotopic mass
- 382.015494
Names & identifiers
- Preferred name
- 2,4-Dichloro-5-(5-(2-chlorophenyl)-1H-1,2,3,4-tetraazol-1-yl)phenyl isopropyl ether
- IUPAC
- 5-(2-chlorophenyl)-1-(2,4-dichloro-5-propan-2-yloxyphenyl)tetrazole
- English name
- 2,4-DICHLORO-5-[5-(2-CHLOROPHENYL)-1H-1,2,3,4-TETRAAZOL-1-YL]PHENYL ISOPROPYL ETHER
- Molecular formula
- C16H13Cl3N4O
- Molecular weight
- 383.66
Names & synonyms
338961-45-82,4-Dichloro-5-(5-(2-chlorophenyl)-1H-1,2,3,4-tetraazol-1-yl)phenyl isopropyl ether5-(2-chlorophenyl)-1-[2,4-dichloro-5-(propan-2-yloxy)phenyl]-1H-1,2,3,4-tetrazole5-(2-chlorophenyl)-1-(2,4-dichloro-5-propan-2-yloxyphenyl)tetrazoleBionet1_002419HMS575E21AKOS0050955385L-612S1H-Tetrazole, 5-(2-chlorophenyl)-1-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(2-CHLOROPHENYL)-1-(2,4-DICHLORO-5-ISOPROPOXYPHENYL)-1H-1,2,3,4-TETRAAZOLE2,4-DICHLORO-5-[5-(2-CHLOROPHENYL)-1H-1,2,3,4-TETRAAZOL-1-YL]PHENYL ISOPROPYL ETHER
Database identifiers
- CAS
338961-45-8- PubChem CID
- 1479526
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- Boiling point
- 530.1 · 530.1±60.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- -0.21 · -0.21±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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