1-Chloro-6-isopropylisoquinoline - CAS 630422-59-2
Catalog: |
BB031965 |
Product Name: |
1-Chloro-6-isopropylisoquinoline |
CAS: |
630422-59-2 |
Synonyms: |
1-chloro-6-propan-2-ylisoquinoline; 1-chloro-6-propan-2-ylisoquinoline |
IUPAC Name: | 1-chloro-6-propan-2-ylisoquinoline |
Description: | 1-Chloro-6-isopropylisoquinoline (CAS# 630422-59-2) is a useful research chemical compound. |
Molecular Weight: | 205.68 |
Molecular Formula: | C12H12ClN |
Canonical SMILES: | CC(C)C1=CC2=C(C=C1)C(=NC=C2)Cl |
InChI: | InChI=1S/C12H12ClN/c1-8(2)9-3-4-11-10(7-9)5-6-14-12(11)13/h3-8H,1-2H3 |
InChI Key: | NZWSRHJSXZLLJC-UHFFFAOYSA-N |
LogP: | 4.01160 |
Publication Number | Title | Priority Date |
CN-111377969-A | Organic metal compound and application thereof | 20181227 |
CN-111377969-B | Organic metal compound and application thereof | 20181227 |
WO-2020134570-A1 | Organic metal compound and application thereof | 20181227 |
DE-112019005183-T5 | Organometallic compounds and their application | 20181227 |
CN-109206456-A | Red phosphorescent compound and the organic light emitting diode device for using the compound | 20180904 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.0658271 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.0658271 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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Related Functional Groups
Quinoline/Isoquinoline
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