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

Technical Data

Safety and Hazards

Patents

Computed Properties

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

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

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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

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