| CAS Number | 1394003-98-5 |
| Catalog Number | AG01DW02 |
| Chemical Name | 6-Chloro-1,5-Naphthyridin-2(1H)-One |
| IUPAC Name | 6-chloro-1H-1,5-naphthyridin-2-one |
| InChI | InChI=1S/C8H5ClN2O/c9-7-3-1-6-5(10-7)2-4-8(12)11-6/h1-4H,(H,11,12) |
| InChI Key | JPPALMUZMRZGSL-UHFFFAOYSA-N |
| MDL Number | MFCD22543817 |
| Molecular Formula | C8H5ClN2O |
| Molecular Weight | 180.5911 |
| SMILES | ClC=1N=C2C=CC(NC2=CC1)=O |
| Synonyms | 6-chloro-1,5-naphthyridin-2(1H)-one,
1394003-98-5,
SCHEMBL17442949,
ZINC238533519,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.591g/mol |
| Monoisotopic Mass | 180.009g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 42A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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