1-Chloro-6-methoxyisoquinoline - CAS 132997-77-4
Catalog: |
BB007668 |
Product Name: |
1-Chloro-6-methoxyisoquinoline |
CAS: |
132997-77-4 |
Synonyms: |
1-chloro-6-methoxyisoquinoline; 1-chloro-6-methoxyisoquinoline |
IUPAC Name: | 1-chloro-6-methoxyisoquinoline |
Description: | 1-Chloro-6-methoxyisoquinoline (CAS# 132997-77-4) is a useful research chemical. |
Molecular Weight: | 193.63 |
Molecular Formula: | C10H8ClNO |
Canonical SMILES: | COC1=CC2=C(C=C1)C(=NC=C2)Cl |
InChI: | InChI=1S/C10H8ClNO/c1-13-8-2-3-9-7(6-8)4-5-12-10(9)11/h2-6H,1H3 |
InChI Key: | UTZJYSXOFHCSGZ-UHFFFAOYSA-N |
Boiling Point: | 332.992 °C at 760 mmHg |
Density: | 1.268 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD06738659 |
LogP: | 2.89680 |
Publication Number | Title | Priority Date |
EP-3233826-A1 | New antibacterial compounds | 20141217 |
US-10369130-B2 | Antibacterial compounds | 20141217 |
US-2017368017-A1 | Antibacterial compounds | 20141217 |
WO-2016096631-A1 | New antibacterial compounds | 20141217 |
EP-2914613-A1 | Hepatitis c virus inhibitors | 20121102 |
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 |
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