7-Bromo-6-fluoroisoquinoline - CAS 923022-40-6
Catalog: |
BB040477 |
Product Name: |
7-Bromo-6-fluoroisoquinoline |
CAS: |
923022-40-6 |
Synonyms: |
7-bromo-6-fluoroisoquinoline; 7-bromo-6-fluoroisoquinoline |
IUPAC Name: | 7-bromo-6-fluoroisoquinoline |
Description: | 7-Bromo-6-fluoroisoquinoline (CAS# 923022-40-6) is a useful research chemical. |
Molecular Weight: | 226.05 |
Molecular Formula: | C9H5BrFN |
Canonical SMILES: | C1=CN=CC2=CC(=C(C=C21)F)Br |
InChI: | InChI=1S/C9H5BrFN/c10-8-3-7-5-12-2-1-6(7)4-9(8)11/h1-5H |
InChI Key: | ABZAYLFRWGIRDU-UHFFFAOYSA-N |
LogP: | 3.13640 |
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 |
WO-2021028645-A1 | Plasma kallikrein inhibitors | 20190809 |
WO-2021028649-A1 | Plasma kallikrein inhibitors | 20190809 |
US-2020308193-A1 | Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof | 20190325 |
WO-2020198214-A1 | Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof | 20190325 |
US-2020157095-A1 | Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof | 20181119 |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.95894 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.95894 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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Quinoline/Isoquinoline
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