4-Fluoroisoquinoline - CAS 394-67-2
Catalog: |
BB023992 |
Product Name: |
4-Fluoroisoquinoline |
CAS: |
394-67-2 |
Synonyms: |
4-fluoroisoquinoline; 4-fluoroisoquinoline |
IUPAC Name: | 4-fluoroisoquinoline |
Description: | 4-Fluoroisoquinoline (CAS# 394-67-2) is a useful research chemical. |
Molecular Weight: | 147.15 |
Molecular Formula: | C9H6FN |
Canonical SMILES: | C1=CC=C2C(=C1)C=NC=C2F |
InChI: | InChI=1S/C9H6FN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H |
InChI Key: | VFFQGPWQVYUFLV-UHFFFAOYSA-N |
Boiling Point: | 239.7 °C at 760 mmHg |
Density: | 1.216 g/cm3 |
LogP: | 2.37390 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112047884-A | Synthesis method of 4-fluoroisoquinoline sulfate | 20200911 |
WO-2020176349-A1 | Nnythiosemicarbazone compounds and uses thereof | 20190225 |
US-2020140412-A1 | Rock kinase inhibitors | 20181106 |
WO-2020097158-A1 | Rock kinase inhibitors | 20181106 |
US-10745381-B2 | Substituted isoquinolines and phthalazines as rock kinase inhibitors | 20181106 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.048427358 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.048427358 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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