3-Fluoro-5-methoxyphenylacetonitrile - CAS 914637-31-3
Catalog: |
BB040205 |
Product Name: |
3-Fluoro-5-methoxyphenylacetonitrile |
CAS: |
914637-31-3 |
Synonyms: |
2-(3-fluoro-5-methoxyphenyl)acetonitrile; 2-(3-fluoro-5-methoxyphenyl)acetonitrile |
IUPAC Name: | 2-(3-fluoro-5-methoxyphenyl)acetonitrile |
Description: | 3-Fluoro-5-methoxyphenylacetonitrile (CAS# 914637-31-3) is a useful research chemical. |
Molecular Weight: | 165.16 |
Molecular Formula: | C9H8FNO |
Canonical SMILES: | COC1=CC(=CC(=C1)CC#N)F |
InChI: | InChI=1S/C9H8FNO/c1-12-9-5-7(2-3-11)4-8(10)6-9/h4-6H,2H2,1H3 |
InChI Key: | VWYCYRCMXIAREJ-UHFFFAOYSA-N |
MDL: | MFCD08741379 |
LogP: | 1.90038 |
Publication Number | Title | Priority Date |
WO-2021021979-A2 | Hdac6 inhibitors and uses thereof | 20190730 |
EP-3172202-B1 | Heterocyclic carboxylic acids as activators of soluble guanylate cyclase | 20140722 |
US-2016024059-A1 | Heterocyclic carboxylic acids as activators of soluble guanylate cyclase | 20140722 |
US-9353090-B2 | Heterocyclic carboxylic acids as activators of soluble guanylate cyclase | 20140722 |
WO-2016014463-A1 | Heterocyclic carboxylic acids as activators of soluble guanylate cyclase | 20140722 |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.058992041 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.058992041 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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