1,3-Dichloro-6-fluoroisoquinoline - CAS 1041423-26-0
Catalog: |
BB001338 |
Product Name: |
1,3-Dichloro-6-fluoroisoquinoline |
CAS: |
1041423-26-0 |
Synonyms: |
1,3-dichloro-6-fluoroisoquinoline |
IUPAC Name: | 1,3-dichloro-6-fluoroisoquinoline |
Description: | 1,3-Dichloro-6-fluoroisoquinoline (CAS# 1041423-26-0 ) is a useful research chemical. |
Molecular Weight: | 216.04 |
Molecular Formula: | C9H4Cl2FN |
Canonical SMILES: | C1=CC2=C(N=C(C=C2C=C1F)Cl)Cl |
InChI: | InChI=1S/C9H4Cl2FN/c10-8-4-5-3-6(12)1-2-7(5)9(11)13-8/h1-4H |
InChI Key: | BDAYBRFYRZTMGQ-UHFFFAOYSA-N |
Purity: | 97 % |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD11656163 |
LogP: | 3.68070 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020257487-A1 | Glycolate oxidase inhibitors for the treatment of disease | 20190619 |
US-2021171474-A1 | Glycolate oxidase inhibitors for the treatment of disease | 20171229 |
WO-2018171602-A1 | Urea compound as dual inhibitor of ido and tdo | 20170321 |
AU-2015274843-A1 | Pyrrolo[2,3-c]pyridines as imaging agents for neurofibrilary tangles | 20140613 |
AU-2015274843-B2 | Pyrrolo[2,3-c]pyridines as imaging agents for neurofibrilary tangles | 20140613 |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.9704827 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.9704827 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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