| CAS Number | 1337533-31-9 |
| Catalog Number | AG01FT8P(AGN-PC-3H60BC) |
| Chemical Name | tert-Butyl 5-bromo-4-fluoroindoline-1-carboxylate |
| IUPAC Name | tert-butyl 5-bromo-4-fluoro-2,3-dihydroindole-1-carboxylate |
| InChI | InChI=1S/C13H15BrFNO2/c1-13(2,3)18-12(17)16-7-6-8-10(16)5-4-9(14)11(8)15/h4-5H,6-7H2,1-3H3 |
| InChI Key | VRWHIDGFWSDQAY-UHFFFAOYSA-N |
| MDL Number | MFCD29760339 |
| Molecular Formula | C13H15BrFNO2 |
| Molecular Weight | 316.1661 |
| SMILES | BrC=1C(=C2CCN(C2=CC1)C(=O)OC(C)(C)C)F |
| Synonyms | tert-Butyl 5-bromo-4-fluoroindoline-1-carboxylate,
1337533-31-9,
SCHEMBL868890,
VRWHIDGFWSDQAY-UHFFFAOYSA-N,
ZINC114737809,
FCH4389073,
AK502853,
AX8265727,
DB-130672,
1,1-dimethylethyl 5-bromo-4-fluoro-2,3-dihydro-1H-indole-1-carboxylate,
|
| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.02702g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.17g/mol |
| Monoisotopic Mass | 315.02702g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number