| CAS Number | 1187386-41-9 |
| Catalog Number | AG003MKQ(AGN-PC-07XUE7) |
| Chemical Name | Propyl 5-bromonicotinamide |
| IUPAC Name | 5-bromo-N-propylpyridine-3-carboxamide |
| InChI | InChI=1S/C9H11BrN2O/c1-2-3-12-9(13)7-4-8(10)6-11-5-7/h4-6H,2-3H2,1H3,(H,12,13) |
| InChI Key | RBMGZXJPSYXVGD-UHFFFAOYSA-N |
| MDL Number | MFCD12546474 |
| Molecular Formula | C9H11BrN2O |
| Molecular Weight | 243.1004 |
| SMILES | O=C(NCCC)C1=CN=CC(Br)=C1 |
| Synonyms | 5-Bromo-N-propylnicotinamide,
1187386-41-9,
PROPYL 5-BROMONICOTINAMIDE,
ACMC-2099zv,
SCHEMBL6361404,
CTK4B0875,
DTXSID70675103,
ANW-17225,
MFCD12546474,
ZINC38537609,
AKOS008914749,
5-bromo-N-propylpyridine-3-carboxamide,
AJ-96181,
ST2406172,
TR-034308,
Z8020,
A-5322,
I14-24826,
C9H11BrN2O,
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| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.104g/mol |
| Monoisotopic Mass | 242.005g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number