1-Boc-3-bromo-6-fluoroindole - CAS 1314406-46-6
Catalog: |
BB007332 |
Product Name: |
1-Boc-3-bromo-6-fluoroindole |
CAS: |
1314406-46-6 |
Synonyms: |
3-bromo-6-fluoro-1-indolecarboxylic acid tert-butyl ester; tert-butyl 3-bromo-6-fluoroindole-1-carboxylate |
IUPAC Name: | tert-butyl 3-bromo-6-fluoroindole-1-carboxylate |
Description: | 1-Boc-3-bromo-6-fluoroindole (CAS# 1314406-46-6) is a useful research chemical. |
Molecular Weight: | 314.15 |
Molecular Formula: | C13H13BrFNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C=C(C2=C1C=C(C=C2)F)Br |
InChI: | InChI=1S/C13H13BrFNO2/c1-13(2,3)18-12(17)16-7-10(14)9-5-4-8(15)6-11(9)16/h4-7H,1-3H3 |
InChI Key: | MAERWTKKEZHNEC-UHFFFAOYSA-N |
LogP: | 4.32610 |
Publication Number | Title | Priority Date |
WO-2021083060-A1 | Five-membered heterocyclic oxocarboxylic acid compound and medical use thereof | 20191028 |
US-2021078996-A1 | Hpk1 antagonists and uses thereof | 20190913 |
US-2021078997-A1 | SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | 20190913 |
US-2021078998-A1 | SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | 20190913 |
US-2021087189-A1 | SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | 20190913 |
Complexity: | 331 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 313.01137 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 313.01137 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 31.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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