7-Chloroisoquinoline - CAS 34784-06-0

Catalog:	BB022283
Product Name:	7-Chloroisoquinoline
CAS:	34784-06-0
Synonyms:	7-chloroisoquinoline; 7-chloroisoquinoline

Technical Data

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Computed Properties

IUPAC Name:	7-chloroisoquinoline
Description:	7-Chloroisoquinoline (CAS# 34784-06-0) is used in preparation of 1H-1,2,3-triazole-5-carboxylic acid derivatives as glycolate oxidase inhibitors for treatment of hyperoxaluria and related diseases.
Molecular Weight:	163.60
Molecular Formula:	C9H6ClN
Canonical SMILES:	C1=CC(=CC2=C1C=CN=C2)Cl
InChI:	InChI=1S/C9H6ClN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-6H
InChI Key:	PIOJSCVWTGEZLN-UHFFFAOYSA-N
Boiling Point:	289.5 °C at 760 mmHg
Density:	1.27 g/cm³
Appearance:	Solid
LogP:	2.88820

Publication Number	Title	Priority Date
WO-2021188948-A1	Mdm2 degraders and uses thereof	20200319
US-2021078999-A1	Plasma kallikrein inhibitors and uses thereof	20190918
WO-2021055621-A1	Plasma kallikrein inhibitors and uses thereof	20190918
WO-2020123674-A1	Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same	20181212
TW-202035359-A	Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same	20181212

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GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.0188769
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	163.0188769
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9