| CAS Number | 73776-21-3 |
| Catalog Number | AG008Q1O(AGN-PC-0U3UTQ) |
| Chemical Name | 2-Chloroquinoline-3-carboxamide |
| IUPAC Name | 2-chloroquinoline-3-carboxamide |
| InChI | InChI=1S/C10H7ClN2O/c11-9-7(10(12)14)5-6-3-1-2-4-8(6)13-9/h1-5H,(H2,12,14) |
| InChI Key | VVZAOJPBUNOKGJ-UHFFFAOYSA-N |
| MDL Number | MFCD11656700 |
| Molecular Formula | C10H7ClN2O |
| Molecular Weight | 206.6284 |
| SMILES | O=C(C1=CC2=CC=CC=C2N=C1Cl)N |
| Synonyms | 73776-21-3,
3-Quinolinecarboxamide,2-chloro-,
2-CHLOROQUINOLINE-3-CARBOXAMIDE,
2-Chloro-3-quinolinecarboxamide,
SCHEMBL31301,
CTK5D8654,
DTXSID10502348,
ZINC39246067,
DA-03802,
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.629g/mol |
| Monoisotopic Mass | 206.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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