| CAS Number | 116986-10-8 |
| Catalog Number | AG008XTV(AGN-PC-09RZUD) |
| Chemical Name | Methyl 3-(bromomethyl)isonicotinate |
| IUPAC Name | methyl 3-(bromomethyl)pyridine-4-carboxylate |
| InChI | InChI=1S/C8H8BrNO2/c1-12-8(11)7-2-3-10-5-6(7)4-9/h2-3,5H,4H2,1H3 |
| InChI Key | LOOCRFUNMHYTIC-UHFFFAOYSA-N |
| MDL Number | MFCD11656279 |
| Molecular Formula | C8H8BrNO2 |
| Molecular Weight | 230.0586 |
| SMILES | COC(=O)c1ccncc1CBr |
| Synonyms | 116986-10-8,
3-(Bromomethyl)-pyridine-4-carboxylic acid methyl ester,
METHYL 3-(BROMOMETHYL)ISONICOTINATE,
METHYL 3-(BROMOMETHYL)PYRIDINE-4-CARBOXYLATE,
DTXSID90697524,
ZINC71255413,
AB64502,
SC-90929,
DB-082420,
FT-0742228,
3-(BROMOMETHYL)-PYRIDINE-4-CARBOXYLIC ACID METHYL,
4-Pyridinecarboxylic acid, 3-(bromomethyl)-, methyl ester,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.061g/mol |
| Monoisotopic Mass | 228.974g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number