2-Fluoro-3-methoxybenzonitrile - CAS 198203-94-0
Catalog: |
BB015321 |
Product Name: |
2-Fluoro-3-methoxybenzonitrile |
CAS: |
198203-94-0 |
Synonyms: |
2-fluoro-3-methoxybenzonitrile; 2-fluoro-3-methoxybenzonitrile |
IUPAC Name: | 2-fluoro-3-methoxybenzonitrile |
Description: | 2-Fluoro-3-methoxybenzonitrile (CAS# 198203-94-0) is a useful research chemical. |
Molecular Weight: | 151.14 |
Molecular Formula: | C8H6FNO |
Canonical SMILES: | COC1=CC=CC(=C1F)C#N |
InChI: | InChI=1S/C8H6FNO/c1-11-7-4-2-3-6(5-10)8(7)9/h2-4H,1H3 |
InChI Key: | MTZXEJOKWAFGGH-UHFFFAOYSA-N |
Boiling Point: | 227.166 °C at 760 mmHg |
Density: | 1.186 g/cm3 |
Appearance: | Solid |
MDL: | MFCD09839223 |
LogP: | 1.70598 |
Publication Number | Title | Priority Date |
WO-2019113190-A1 | Bicyclic fused pyridine compounds as inhibitors of tam kinases | 20171207 |
CA-3063632-A1 | Benzofurane and benzothiophene derivatives as pge2 receptor modulators | 20170518 |
CN-110621671-A | Benzofuran and benzothiophene derivatives as PGE2 receptor modulators | 20170518 |
EP-3625227-A1 | Benzofurane and benzothiophene derivatives as pge2 receptor modulators | 20170518 |
KR-20200007048-A | Benzofuran and Benzothiophenone Derivatives as PGE2 Receptor Modulators | 20170518 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.043341977 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.043341977 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 33 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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