| CAS Number | 1082766-10-6 |
| Catalog Number | AG0083V7(AGN-PC-05IRYY) |
| Chemical Name | 2-[(2-Chloro-3-pyridinyl)carbonyl]-2-azabicyclo[2.2.1]heptane |
| IUPAC Name | 2-azabicyclo[2.2.1]heptan-2-yl-(2-chloropyridin-3-yl)methanone |
| InChI | InChI=1S/C12H13ClN2O/c13-11-10(2-1-5-14-11)12(16)15-7-8-3-4-9(15)6-8/h1-2,5,8-9H,3-4,6-7H2 |
| InChI Key | JUHZQALPQSXQCG-UHFFFAOYSA-N |
| MDL Number | MFCD11505286 |
| Molecular Formula | C12H13ClN2O |
| Molecular Weight | 236.6974 |
| SMILES | N1(CC2CC1CC2)C(=O)C1C=CC=NC=1Cl |
| Synonyms | 1082766-10-6,
2-[(2-CHLORO-3-PYRIDINYL)CARBONYL]-2-AZABICYCLO[2.2.1]HEPTANE,
2-Azabicyclo[2.2.1]heptan-2-yl(2-chloropyridin-3-yl)methanone,
CTK4A5937,
DTXSID60672449,
ZX-CM006405,
MFCD11505286,
AKOS010305753,
Y-6736,
(2-Azabicyclo[2.2.1]heptan-2-yl)(2-chloropyridin-3-yl)methanone,
3-azabicyclo[2.2.1]heptan-3-yl-(2-chloropyridin-3-yl)methanone,
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| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.699g/mol |
| Monoisotopic Mass | 236.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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