| CAS Number | 1622840-55-4 |
| Catalog Number | AG001SY8(AGN-PC-0WNH7U) |
| Chemical Name | Tert-Butyl 5-Bromo-1,2,3,4-Tetrahydropyridine-1-Carboxylate |
| IUPAC Name | tert-butyl 5-bromo-3,4-dihydro-2H-pyridine-1-carboxylate |
| InChI | InChI=1S/C10H16BrNO2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h7H,4-6H2,1-3H3 |
| InChI Key | IMDIJYNDIARCKQ-UHFFFAOYSA-N |
| MDL Number | MFCD28054690 |
| Molecular Formula | C10H16BrNO2 |
| Molecular Weight | 262.1435 |
| SMILES | CC(OC(N1C=C(Br)CCC1)=O)(C)C |
| Synonyms | tert-butyl 5-bromo-1,2,3,4-tetrahydropyridine-1-carboxylate,
1622840-55-4,
MFCD28054690,
ZINC307484810,
SB23181,
KS-000008Q3,
AS-54034,
CS-0048190,
FT-0700075,
t-Butyl 5-bromo-1,2,3,4-tetrahydropyridine-1-carboxylate,
1(2H)-Pyridinecarboxylic acid, 5-bromo-3,4-dihydro-, 1,1-dimethylethyl ester,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.147g/mol |
| Monoisotopic Mass | 261.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number