1-Boc-5-fluoro-1H-indole - CAS 129822-47-5
Catalog: |
BB007024 |
Product Name: |
1-Boc-5-fluoro-1H-indole |
CAS: |
129822-47-5 |
Synonyms: |
5-fluoro-1-indolecarboxylic acid tert-butyl ester; tert-butyl 5-fluoroindole-1-carboxylate |
IUPAC Name: | tert-butyl 5-fluoroindole-1-carboxylate |
Description: | 1-Boc-5-fluoro-1H-indole (CAS# 129822-47-5 ) is a useful research chemical. |
Molecular Weight: | 235.25 |
Molecular Formula: | C13H14FNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)F |
InChI: | InChI=1S/C13H14FNO2/c1-13(2,3)17-12(16)15-7-6-9-8-10(14)4-5-11(9)15/h4-8H,1-3H3 |
InChI Key: | PCZRVRIBJPHEBB-UHFFFAOYSA-N |
Boiling Point: | 322.3 °C at 760 mmHg |
Density: | 1.14 g/cm3 |
LogP: | 3.56360 |
Publication Number | Title | Priority Date |
WO-2021083060-A1 | Five-membered heterocyclic oxocarboxylic acid compound and medical use thereof | 20191028 |
CN-112789040-A | Transglutaminase 2(TG2) inhibitors | 20180810 |
EP-3601203-B1 | Process for synthesizing fluorinated cyclic aliphatic compounds | 20170327 |
US-2021261478-A1 | Process For Synthesizing Fluorinated Cyclic Aliphatic Compounds | 20170327 |
EP-3434668-A1 | Indolo-substituted-piperidine compounds as estrogen receptor degrading agent | 20160325 |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.10085685 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.10085685 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 31.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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