| CAS Number | 1330765-09-7 |
| Catalog Number | AG00HSS0(AGN-PC-0WG4QP) |
| Chemical Name | TERT-BUTYL 3-(6-BROMOIMIDAZO[1,5-A]PYRIDIN-1-YL)AZETIDINE-1-CARBOXYLATE |
| IUPAC Name | tert-butyl 3-(6-bromoimidazo[1,5-a]pyridin-1-yl)azetidine-1-carboxylate |
| InChI | InChI=1S/C15H18BrN3O2/c1-15(2,3)21-14(20)18-6-10(7-18)13-12-5-4-11(16)8-19(12)9-17-13/h4-5,8-10H,6-7H2,1-3H3 |
| InChI Key | HCMAJQLLJWZAOV-UHFFFAOYSA-N |
| MDL Number | MFCD20231136 |
| Molecular Formula | C15H18BrN3O2 |
| Molecular Weight | 352.2263 |
| SMILES | CC(C)(C)OC(=O)N1CC(C1)c1ncn2cc(Br)ccc12 |
| Synonyms | tert-Butyl 3-(6-bromoimidazo[1,5-a]pyridin-1-yl)azetidine-1-carboxylate,
1330765-09-7,
MFCD20231136,
ZINC95740393,
CS-0036508,
t-Butyl 3-(6-bromoimidazo[1,5-a]pyridin-1-yl)azetidine-1-carboxylate,
|
| Complexity | 406 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 351.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 352.232g/mol |
| Monoisotopic Mass | 351.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number