Basic information
- CAS
338403-56-8- Standard SMILES
O=C(c1ccccc1)c1c[nH]c(C(=O)NNc2ncc(C(F)(F)F)cc2Cl)c1- InChIKey
DMGPPOQDRQPACT-UHFFFAOYSA-N- Molecular formula
- C18H12ClF3N4O2
- Average molar mass
- 408.8 g/mol
Names & identifiers
- Preferred name
- 4-benzoyl-N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-carbohydrazide
- IUPAC
- 4-benzoyl-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carbohydrazide
- English name
- 4-Benzoyl-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carbohydrazide
- Molecular formula
- C18H12ClF3N4O2
- Molecular weight
- 408.76
Names & synonyms
4-benzoyl-N'-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-carbohydrazide338403-56-8AKOS0050872983D-0454-Benzoyl-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carbohydrazide1H-Pyrrole-2-carboxylic acid, 4-benzoyl-, 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazide
Database identifiers
- CAS
338403-56-8
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 572
Physicochemical properties
- Boiling point
- 528.6 · 528.6±50.0 °C(Predicted)
- Density
- 1.501 · 1.501±0.06 g/cm3(Predicted)
- pka
- 10.95 · 10.95±0.23(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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