Basic information
- CAS
16880-60-7- Standard SMILES
O=C(CCl)Nc1cccc2cnccc12- InChIKey
UZTWFIXSSGOWBG-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2O
- Average molar mass
- 220.65 g/mol
- Monoisotopic mass
- 220.04034059
Names & identifiers
- Preferred name
- 2-Chloro-N-(isoquinolin-5-yl)acetamide
- IUPAC
- 2-chloro-N-isoquinolin-5-ylacetamide
- English name
- 3-Chloro-N-isoquinolin-5-yl-propionaMide, 98+% C12H11ClN2O, MW: 234.69
- Molecular formula
- C12H11ClN2O
- Molecular weight
- 234.68
Names & synonyms
16880-60-72-Chloro-N-(isoquinolin-5-yl)acetamide2-Chloro-N-isoquinolin-5-yl-acetamide2-Chloro-N-isoquinolin-5-ylacetamide16880-59-43-Chloro-N-isoquinolin-5-yl-propionaMide, 98+per cent C12H11ClN2O, MW: 234.69SCHEMBL6030168SCHEMBL31536337DTXSID806238322-chloro-N-(5-isoquinolyl)acetamideSBB075576AKOS009892961
Show more names
3-Chloro-N-5-isoquinolylpropionamidePropanamide, 3-chloro-N-5-isoquinolinyl-3-Chloro-N-isoquinolin-5-yl-propionaMide, 98+% C12H11ClN2O, MW: 234.69
DB-227994
Database identifiers
- CAS
16880-60-7- PubChem CID
- 22247828
- DTXSID
DTXSID80623832
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Density
- 1.32 · 1.320
Chemistry & industry
Suppliers1 total
江阴安博生物医药有限公司086-010-62176588 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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