| CAS Number | 1341038-90-1 |
| Catalog Number | AG00HT7G(AGN-PC-0WCXMY) |
| Chemical Name | 5'-Bromo-2,3,5,6-tetrahydrospiro[pyran-4,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one |
| IUPAC Name | 5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-oxane]-2-one |
| InChI | InChI=1S/C11H11BrN2O2/c12-7-5-8-9(13-6-7)14-10(15)11(8)1-3-16-4-2-11/h5-6H,1-4H2,(H,13,14,15) |
| InChI Key | MFBOMGCPFZSTLQ-UHFFFAOYSA-N |
| MDL Number | MFCD28501856 |
| Molecular Formula | C11H11BrN2O2 |
| Molecular Weight | 283.1212 |
| SMILES | O=C1NC2=NC=C(Br)C=C2C31CCOCC3 |
| Synonyms | 1341038-90-1,
5'-bromo-1',2'-dihydrospiro[oxane-4,3'-pyrrolo[2,3-b]pyridine]-2'-one,
5'-Bromo-2,3,5,6-tetrahydrospiro[pyran-4,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one,
SCHEMBL15690242,
KS-000005WM,
MFCD28501856,
AKOS025396135,
ZINC149985320,
SB15360,
AS-52612,
OR317344,
CS-0050661,
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| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.125g/mol |
| Monoisotopic Mass | 282g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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