1,4-Dichloroisoquinoline - CAS 15298-58-5
Catalog: |
BB010833 |
Product Name: |
1,4-Dichloroisoquinoline |
CAS: |
15298-58-5 |
Synonyms: |
1,4-dichloroisoquinoline; 1,4-dichloroisoquinoline |
IUPAC Name: | 1,4-dichloroisoquinoline |
Description: | 1,4-Dichloroisoquinoline (CAS# 15298-58-5) is a useful research chemical. |
Molecular Weight: | 198.05 |
Molecular Formula: | C9H5Cl2N |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CN=C2Cl)Cl |
InChI: | InChI=1S/C9H5Cl2N/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h1-5H |
InChI Key: | HAOKHVBZPIURMZ-UHFFFAOYSA-N |
Boiling Point: | 310.9 °C at 760 mmHg |
Density: | 1.407 g/cm3 |
MDL: | MFCD05664199 |
LogP: | 3.54160 |
Publication Number | Title | Priority Date |
KR-20190137014-A | Heterocyclic derivatives and use thereof | 20180531 |
WO-2019231271-A1 | Heterocyclic derivatives and use thereof | 20180531 |
TW-202016076-A | Heterocyclic derivatives and their uses | 20180531 |
CN-112204010-A | Heterocyclic derivatives and use thereof | 20180531 |
EP-3802495-A1 | Heterocyclic derivatives and use thereof | 20180531 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.9799046 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.9799046 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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