4-Fluoroisoindoline hydrochloride - CAS 924305-06-6
Catalog: |
BB040509 |
Product Name: |
4-Fluoroisoindoline hydrochloride |
CAS: |
924305-06-6 |
Synonyms: |
4-fluoro-2,3-dihydro-1H-isoindole;hydrochloride |
IUPAC Name: | 4-fluoro-2,3-dihydro-1H-isoindole;hydrochloride |
Description: | 4-Fluoroisoindoline hydrochloride (CAS# 924305-06-6) is a useful research chemical. |
Molecular Weight: | 173.62 |
Molecular Formula: | C8H8FN · HCl |
Canonical SMILES: | C1C2=C(CN1)C(=CC=C2)F.Cl |
InChI: | InChI=1S/C8H8FN.ClH/c9-8-3-1-2-6-4-10-5-7(6)8;/h1-3,10H,4-5H2;1H |
InChI Key: | MKNPYNGKUKUSFB-UHFFFAOYSA-N |
Melting Point: | 212-222 °C |
Purity: | 97 % |
MDL: | MFCD10700143 |
LogP: | 2.55970 |
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 |
US-10550105-B2 | Pyridazinones as PARP7 inhibitors | 20180430 |
US-2019330194-A1 | Pyridazinones as parp7 inhibitors | 20180430 |
US-2020123134-A1 | Pyridazinones as parp7 inhibitors | 20180430 |
WO-2019212937-A1 | Pyridazinones as parp7 inhibitors | 20180430 |
AU-2019262927-A1 | Pyridazinones as PARP7 inhibitors | 20180430 |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.0407551 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.0407551 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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