1-Chloro-4-iodoisoquinoline - CAS 927801-77-2
Catalog: |
BB040626 |
Product Name: |
1-Chloro-4-iodoisoquinoline |
CAS: |
927801-77-2 |
Synonyms: |
1-chloro-4-iodoisoquinoline; 1-chloro-4-iodoisoquinoline |
IUPAC Name: | 1-chloro-4-iodoisoquinoline |
Description: | 1-Chloro-4-iodoisoquinoline (CAS# 927801-77-2) is a useful research chemical. |
Molecular Weight: | 289.50 |
Molecular Formula: | C9H5ClIN |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CN=C2Cl)I |
InChI: | InChI=1S/C9H5ClIN/c10-9-7-4-2-1-3-6(7)8(11)5-12-9/h1-5H |
InChI Key: | PZMMTXHPJQTRSP-UHFFFAOYSA-N |
LogP: | 3.49280 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10449186-B2 | Phenylethynyl-substituted benzenes and heterocycles for the treatment of cancer | 20170621 |
US-2018369222-A1 | Phenylethynyl-substituted benzenes and heterocycles for the treatment of cancer | 20170621 |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.91552 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.91552 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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