| CAS Number | 1146089-80-6 |
| Catalog Number | AG000ETM(AGN-PC-0WCY6R) |
| Chemical Name | 1-Azetidinecarboxylic acid, 3-[(6-bromo-3-pyridinyl)oxy]-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 3-(6-bromopyridin-3-yl)oxyazetidine-1-carboxylate |
| InChI | InChI=1S/C13H17BrN2O3/c1-13(2,3)19-12(17)16-7-10(8-16)18-9-4-5-11(14)15-6-9/h4-6,10H,7-8H2,1-3H3 |
| InChI Key | ZLDRMMHRSSNZPE-UHFFFAOYSA-N |
| MDL Number | MFCD22987896 |
| Molecular Formula | C13H17BrN2O3 |
| Molecular Weight | 329.1897 |
| SMILES | BrC1=CC=C(OC2CN(C(OC(C)(C)C)=O)C2)C=N1 |
| Synonyms | 1146089-80-6,
1-BOC-3-((6-BROMOPYRIDIN-3-YL)OXY)AZETIDINE,
tert-Butyl 3-((6-bromopyridin-3-yl)oxy)azetidine-1-carboxylate,
tert-butyl 3-(6-bromopyridin-3-yl)oxyazetidine-1-carboxylate,
SCHEMBL1668666,
ZLDRMMHRSSNZPE-UHFFFAOYSA-N,
MFCD22987896,
ZINC96023971,
AKOS027253602,
AS-42684,
AB0084179,
AX8267103,
X-2271,
3-(6-Bromo-pyridin-3-yloxy)-azetidine-1-carboxylic acid tert-butyl ester,
3-(6-Bromopyridin-3-yloxy)azetidine-1-carboxylic acid tert-butyl ester,
1-Azetidinecarboxylic acid, 3-[(6-bromo-3-pyridinyl)oxy]-, 1,1-dimethylethyl ester,
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| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.194g/mol |
| Monoisotopic Mass | 328.042g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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