3-Fluoro-4-(hydroxymethyl)benzonitrile - CAS 219873-06-0
Catalog: |
BB017247 |
Product Name: |
3-Fluoro-4-(hydroxymethyl)benzonitrile |
CAS: |
219873-06-0 |
Synonyms: |
3-fluoro-4-(hydroxymethyl)benzonitrile |
IUPAC Name: | 3-fluoro-4-(hydroxymethyl)benzonitrile |
Description: | 3-Fluoro-4-(hydroxymethyl)benzonitrile (CAS# 219873-06-0) is a useful research chemical. |
Molecular Weight: | 151.14 |
Molecular Formula: | C8H6FNO |
Canonical SMILES: | C1=CC(=C(C=C1C#N)F)CO |
InChI: | InChI=1S/C8H6FNO/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,11H,5H2 |
InChI Key: | YGAURRAHPYQHDC-UHFFFAOYSA-N |
Boiling Point: | 288.8 ℃ at 760 mmHg |
Density: | 1.27 g/cm3 |
LogP: | 1.18968 |
GHS Hazard Statement: | H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P280, P305+P351+P338, and P310 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021160127-A1 | Heterocyclic glp-1 agonists | 20200213 |
KR-20210059584-A | Glp-1 receptor agonist and use thereof | 20191115 |
WO-2021096284-A1 | Glp-1 receptor agonist and use thereof | 20191115 |
WO-2021081207-A1 | Glp-1r modulating compounds | 20191025 |
US-2021171499-A1 | Glp-1r modulating compounds | 20191025 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.043341977 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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