| CAS Number | 887579-30-8 |
| Catalog Number | AG00IFFO(AGN-PC-0WOJWS) |
| Chemical Name | tert-butyl 2-bromopyridine-4-carboxylate |
| IUPAC Name | tert-butyl 2-bromopyridine-4-carboxylate |
| InChI | InChI=1S/C10H12BrNO2/c1-10(2,3)14-9(13)7-4-5-12-8(11)6-7/h4-6H,1-3H3 |
| InChI Key | TZSLHTVAIZWDJA-UHFFFAOYSA-N |
| MDL Number | MFCD07367893 |
| Molecular Formula | C10H12BrNO2 |
| Molecular Weight | 258.1118 |
| SMILES | Brc1nccc(c1)C(=O)OC(C)(C)C |
| Synonyms | TERT-BUTYL 2-BROMOISONICOTINATE,
887579-30-8,
2-Bromo-4-pyridine carboxylic acid tert-butyl ester,
TERT-BUTYL 2-BROMOPYRIDINE-4-CARBOXYLATE,
MFCD07367893,
SCHEMBL16901755,
CTK5I9093,
ZINC21984969,
AKOS015961544,
AB31342,
SC-33478,
DB-025296,
Y2988,
2-Bromo-4-boc pyridine,
C10H12BrNO2,
433711-95-6,
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| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.115g/mol |
| Monoisotopic Mass | 257.005g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number