| CAS Number | 1289215-35-5 |
| Catalog Number | AG00HRVL(AGN-PC-0WP1QL) |
| Chemical Name | Benzyl 4-bromopyridine-2-carboxylate |
| IUPAC Name | benzyl 4-bromopyridine-2-carboxylate |
| InChI | InChI=1S/C13H10BrNO2/c14-11-6-7-15-12(8-11)13(16)17-9-10-4-2-1-3-5-10/h1-8H,9H2 |
| InChI Key | VGRGCBVDPJPGLU-UHFFFAOYSA-N |
| MDL Number | MFCD29114717 |
| Molecular Formula | C13H10BrNO2 |
| Molecular Weight | 292.1280 |
| SMILES | Brc1ccnc(c1)C(=O)OCc1ccccc1 |
| Synonyms | Benzyl 4-bromopicolinate,
Benzyl 4-bromopyridine-2-carboxylate,
1289215-35-5,
ZINC390825209,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.132g/mol |
| Monoisotopic Mass | 290.989g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number