1-(2,4-Dichloro-5-(2-methoxyethoxy)phenyl)-5-phenyl-1H-1,2,3,4-tetraazole
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Basic information
- CAS
338961-61-8- Standard SMILES
COCCOc1cc(-n2nnnc2-c2ccccc2)c(Cl)cc1Cl- InChIKey
AJGYIMQSZSFDNX-UHFFFAOYSA-N- Molecular formula
- C16H14Cl2N4O2
- Average molar mass
- 365.2 g/mol
- Monoisotopic mass
- 364.0493811
Names & identifiers
- Preferred name
- 1-(2,4-Dichloro-5-(2-methoxyethoxy)phenyl)-5-phenyl-1H-1,2,3,4-tetraazole
- IUPAC
- 1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-phenyltetrazole
- English name
- 1-[2,4-DICHLORO-5-(2-METHOXYETHOXY)PHENYL]-5-PHENYL-1H-1,2,3,4-TETRAAZOLE
- Molecular formula
- C16H14Cl2N4O2
- Molecular weight
- 365.21
Names & synonyms
338961-61-81-(2,4-Dichloro-5-(2-methoxyethoxy)phenyl)-5-phenyl-1H-1,2,3,4-tetraazole1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-phenyltetrazole1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-phenyl-1H-1,2,3,4-tetrazoleBionet1_002441HMS575G03AKOS0050952885L-629S1-(2,4-dichloro-5-(2-methoxyethoxy)phenyl)-5-phenyl-1H-tetrazole1H-Tetrazole, 1-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-5-phenyl-1-[2,4-DICHLORO-5-(2-METHOXYETHOXY)PHENYL]-5-PHENYL-1H-1,2,3,4-TETRAAZOLE2-[2,4-DICHLORO-5-(5-PHENYL-1H-1,2,3,4-TETRAAZOL-1-YL)PHENOXY]ETHYL METHYL ETHER
Database identifiers
- CAS
338961-61-8- PubChem CID
- 4594203
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Boiling point
- 534.7 · 534.7±60.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- -0.01 · -0.01±0.10(Predicted)
Related reactions
0 records
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Compound notes
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