3-Chloro-1-methoxyisoquinoline - CAS 24649-22-7
Catalog: |
BB018568 |
Product Name: |
3-Chloro-1-methoxyisoquinoline |
CAS: |
24649-22-7 |
Synonyms: |
3-chloro-1-methoxyisoquinoline |
IUPAC Name: | 3-chloro-1-methoxyisoquinoline |
Description: | 3-Chloro-1-methoxyisoquinoline (CAS# 24649-22-7) is a useful research chemical. |
Molecular Weight: | 193.63 |
Molecular Formula: | C10H8ClNO |
Canonical SMILES: | COC1=NC(=CC2=CC=CC=C21)Cl |
InChI: | InChI=1S/C10H8ClNO/c1-13-10-8-5-3-2-4-7(8)6-9(11)12-10/h2-6H,1H3 |
InChI Key: | SNAJJTHVSPRNKF-UHFFFAOYSA-N |
Boiling Point: | 309.4 °C at 760 mmHg |
Density: | 1.267 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00160677 |
LogP: | 2.89680 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CA-2948528-A1 | Pyrrolo[2,3-c]pyridines as imaging agents for neurofibrilary tangles | 20140613 |
EP-2663553-A2 | Quinoline and isoquinoline compounds and methods of use thereof | 20100901 |
EP-2663553-B1 | Quinoline and isoquinoline derivatives for use as jak modulators | 20100901 |
US-2013296363-A1 | Quinoline and isoquinoline derivatives for use as jak modulators | 20100901 |
WO-2012030944-A2 | Quinoline and isoquinoline compounds and methods of use thereof | 20100901 |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.0294416 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.0294416 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 22.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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