| CAS Number | 1000930-68-6 |
| Catalog Number | AG019KQE |
| Chemical Name | 2-chloro-N-(quinolin-5-yl)propanamide |
| IUPAC Name | 2-chloro-N-quinolin-5-ylpropanamide |
| InChI | InChI=1S/C12H11ClN2O/c1-8(13)12(16)15-11-6-2-5-10-9(11)4-3-7-14-10/h2-8H,1H3,(H,15,16) |
| InChI Key | KMLNZLIMQZFCHQ-UHFFFAOYSA-N |
| MDL Number | MFCD09945534 |
| Molecular Formula | C12H11ClN2O |
| Molecular Weight | 234.6815 |
| SMILES | CC(C(NC1=C2C(N=CC=C2)=CC=C1)=O)Cl |
| Synonyms | 2-chloro-N-(quinolin-5-yl)propanamide,
2-chloro-N-quinolin-5-ylpropanamide,
1000930-68-6,
AC1Q2AVX,
CTK7F4338,
AKOS000189436,
MCULE-2662996841,
NE14668,
EN300-28015,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.683g/mol |
| Monoisotopic Mass | 234.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number