Ethyl 3-Fluoropyrrole-2-carboxylate - CAS 168102-05-4
Catalog: |
BB012450 |
Product Name: |
Ethyl 3-Fluoropyrrole-2-carboxylate |
CAS: |
168102-05-4 |
Synonyms: |
3-fluoro-1H-pyrrole-2-carboxylic acid ethyl ester; ethyl 3-fluoro-1H-pyrrole-2-carboxylate |
IUPAC Name: | ethyl 3-fluoro-1H-pyrrole-2-carboxylate |
Description: | Ethyl 3-Fluoropyrrole-2-carboxylate (CAS# 168102-05-4) is a useful research chemical compound. |
Molecular Weight: | 157.14 |
Molecular Formula: | C7H8FNO2 |
Canonical SMILES: | CCOC(=O)C1=C(C=CN1)F |
InChI: | InChI=1S/C7H8FNO2/c1-2-11-7(10)6-5(8)3-4-9-6/h3-4,9H,2H2,1H3 |
InChI Key: | XKAWEJUJIOUTRS-UHFFFAOYSA-N |
MDL: | MFCD11042605 |
LogP: | 1.33050 |
Publication Number | Title | Priority Date |
EP-3825318-A1 | Oxalamido-substituted tricyclic inhibitors of hepatitis b virus | 20191125 |
WO-2021068943-A1 | Substituted nitrogen heterocyclic compound and anesthetic effect thereof | 20191011 |
WO-2021046286-A1 | Hepatitis b antiviral agents | 20190904 |
WO-2020244637-A1 | Tricyclic compounds and their use | 20190606 |
WO-2020245297-A1 | Pyrrole derivatives as acc inhibitors | 20190606 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.05390666 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.05390666 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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