1,6-Dichloroisoquinoline - CAS 630421-73-7
Catalog: |
BB031964 |
Product Name: |
1,6-Dichloroisoquinoline |
CAS: |
630421-73-7 |
Synonyms: |
1,6-dichloroisoquinoline; 1,6-dichloroisoquinoline |
IUPAC Name: | 1,6-dichloroisoquinoline |
Description: | 1,6-Dichloroisoquinoline (CAS# 630421-73-7) is a useful research chemical. |
Molecular Weight: | 198.05 |
Molecular Formula: | C9H5Cl2N |
Canonical SMILES: | C1=CC2=C(C=CN=C2Cl)C=C1Cl |
InChI: | InChI=1S/C9H5Cl2N/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H |
InChI Key: | JTCCQIDTKFGEQY-UHFFFAOYSA-N |
Boiling Point: | 327.7 °C at 760 mmHg |
Density: | 1.407 g/cm3 |
MDL: | MFCD06738660 |
LogP: | 3.54160 |
Publication Number | Title | Priority Date |
WO-2021067827-A1 | Mcl1 inhibitors and uses thereof | 20191003 |
KR-20190085876-A | Organic electroluminescent materials and devices | 20180111 |
US-2019214583-A1 | Organic electroluminescent materials and devices | 20180111 |
KR-20180082348-A | Organic electroluminescent materials and devices | 20170109 |
US-2018198079-A1 | Organic electroluminescent materials and devices | 20170109 |
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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Quinoline/Isoquinoline
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