5-Bromo-1,2-dihydroisoquinolin-1-one - CAS 190777-77-6
Catalog: |
BB014751 |
Product Name: |
5-Bromo-1,2-dihydroisoquinolin-1-one |
CAS: |
190777-77-6 |
Synonyms: |
5-bromo-2H-isoquinolin-1-one; 5-bromo-2H-isoquinolin-1-one |
IUPAC Name: | 5-bromo-2H-isoquinolin-1-one |
Description: | 5-Bromo-1,2-dihydroisoquinolin-1-one (CAS# 190777-77-6) is a useful research chemical. |
Molecular Weight: | 224.05 |
Molecular Formula: | C9H6BrNO |
Canonical SMILES: | C1=CC2=C(C=CNC2=O)C(=C1)Br |
InChI: | InChI=1S/C9H6BrNO/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,(H,11,12) |
InChI Key: | UKIWLFJYNMJPEG-UHFFFAOYSA-N |
Boiling Point: | 443.15 °C at 760 mmHg |
Density: | 1.62 g/cm3 |
LogP: | 2.70290 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020132045-A1 | Inhibitors of sarm1 in combination with neuroprotective agents | 20181219 |
WO-2020081923-A1 | Inhibitors of sarm1 in combination with nad+ or a nad+ precursor | 20181019 |
US-2021261540-A1 | Inhibitors of sarm1 | 20180607 |
BR-112019012355-A2 | pyrazole derivatives as malt1 inhibitors | 20161221 |
CA-3048027-A1 | Pyrazole derivatives as malt1 inhibitors | 20161221 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.96328 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.96328 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Quinoline/Isoquinoline
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