4-Fluoro-2-formylbenzonitrile - CAS 894779-76-1
Catalog: |
BB039496 |
Product Name: |
4-Fluoro-2-formylbenzonitrile |
CAS: |
894779-76-1 |
Synonyms: |
4-fluoro-2-formylbenzonitrile; 4-fluoro-2-formylbenzonitrile |
IUPAC Name: | 4-fluoro-2-formylbenzonitrile |
Description: | 4-Fluoro-2-formylbenzonitrile (CAS# 894779-76-1) is a useful research chemical. |
Molecular Weight: | 149.12 |
Molecular Formula: | C8H4FNO |
Canonical SMILES: | C1=CC(=C(C=C1F)C=O)C#N |
InChI: | InChI=1S/C8H4FNO/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3,5H |
InChI Key: | AEQJKMYNEQTXMS-UHFFFAOYSA-N |
LogP: | 1.50988 |
Publication Number | Title | Priority Date |
WO-2019201291-A1 | Histone acetyltransferase (hat) inhibitor and use thereof | 20180420 |
EP-3782995-A1 | Histone acetyltransferase (hat) inhibitor and use thereof | 20180420 |
US-2021101891-A1 | Histone acetyltransferase (hat) inhibitor and use thereof | 20180420 |
CN-108250127-A | A kind of preparation method of isoindoline ketone compound and its derivative | 20180115 |
CN-108250127-B | Preparation method of isoindolinone compounds and derivatives thereof | 20180115 |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.027691913 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.027691913 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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