Basic information
- CAS
874143-25-6- Standard SMILES
CC(=O)Nc1ccc(-c2cncc(Cl)n2)cc1- InChIKey
GFADYGRYDPEOIC-UHFFFAOYSA-N- Molecular formula
- C12H10ClN3O
- Average molar mass
- 247.68 g/mol
- Monoisotopic mass
- 247.0512396
Names & identifiers
- Preferred name
- N-(4-(6-chloropyrazin-2-yl)phenyl)acetamide
- IUPAC
- N-[4-(6-chloropyrazin-2-yl)phenyl]acetamide
- English name
- N-[3-(6-Chloro-pyrazin-2-yl)-phenyl]-acetamide
- Molecular formula
- C12H10ClN3O
- Molecular weight
- 247.68
Names & synonyms
N-(4-(6-chloropyrazin-2-yl)phenyl)acetamide874143-25-6N-[4-(6-Chloropyrazin-2-yl)phenyl]acetamideDTXSID00745303Acetamide, N-[3-(6-chloropyrazinyl)phenyl]-2-(3-acetamidophenyl)-6-chloropyrazineN-[3-(6-CHLOROPYRAZINYL)PHENYL] ACETAMIDEN-[3-(6-Chloro-pyrazin-2-yl)-phenyl]-acetamideAcetamide, N-[3-(6-chloro-2-pyrazinyl)phenyl]-
Database identifiers
- CAS
874143-25-6- PubChem CID
- 71304501
- DTXSID
DTXSID00745303
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 469.2 · 469.2±45.0 °C(Predicted)
- Density
- 1.33 · 1.330±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.58 · 14.58±0.70(Predicted)
Chemistry & industry
Suppliers3 total
郑州药领医药科技有限公司13526569071 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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