Basic information
- CAS
321372-70-7- Standard SMILES
CC(C)Oc1c(Br)cc(Br)cc1C=C(C#N)c1nn(-c2ccccc2)c(N)c1C#N- InChIKey
ZJAAUNFAZYFXSX-UHFFFAOYSA-N- Molecular formula
- C22H17Br2N5O
- Average molar mass
- 527.2 g/mol
Names & identifiers
- Preferred name
- 5-Amino-3-[1-cyano-2-(3,5-dibromo-2-propan-2-yloxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
- IUPAC
- 5-amino-3-[1-cyano-2-(3,5-dibromo-2-propan-2-yloxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
- English name
- 5-amino-3-[1-cyano-2-(3,5-dibromo-2-isopropoxyphenyl)vinyl]-1-phenyl-1H-pyrazole-4-carbonitrile
- Molecular formula
- C22H17Br2N5O
- Molecular weight
- 527.21
Names & synonyms
5-amino-3-[1-cyano-2-(3,5-dibromo-2-isopropoxyphenyl)vinyl]-1-phenyl-1H-pyrazole-4-carbonitrile
Database identifiers
- CAS
321372-70-7
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 720
Physicochemical properties
- Boiling point
- 677.171 · 677.171±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.566 · 1.566±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.091 · -0.091±0.70(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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