| CAS Number | 1092460-53-1 |
| Catalog Number | AG00HBCW |
| Chemical Name | Tert-butyl 5-bromo-4-hydroxyindoline-1-carboxylate |
| IUPAC Name | tert-butyl 5-bromo-4-hydroxy-2,3-dihydroindole-1-carboxylate |
| InChI | InChI=1S/C13H16BrNO3/c1-13(2,3)18-12(17)15-7-6-8-10(15)5-4-9(14)11(8)16/h4-5,16H,6-7H2,1-3H3 |
| InChI Key | QYERGTSMRWEZEL-UHFFFAOYSA-N |
| MDL Number | MFCD11501910 |
| Molecular Formula | C13H16BrNO3 |
| Molecular Weight | 314.1750 |
| SMILES | CC(C)(C)OC(=O)N1CCC2=C(O)C(Br)=CC=C12 |
| Synonyms | 1092460-53-1,
TERT-BUTYL 5-BROMO-4-HYDROXYINDOLINE-1-CARBOXYLATE,
DTXSID50672857,
AR2825,
MFCD11501910,
ZINC35287625,
1h-indole-1-carboxylic acid,5-bromo-2,3-dihydro-4-hydroxy-,1,1-dimethylethyl ester,
AS-45453,
tert-Butyl 5-bromo-4-hydroxy-2,3-dihydro-1H-indole-1-carboxylate,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.179g/mol |
| Monoisotopic Mass | 313.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number