5-Chloroindoline - CAS 25658-80-4

Catalog:	BB018995
Product Name:	5-Chloroindoline
CAS:	25658-80-4
Synonyms:	5-chloro-2,3-dihydro-1H-indole; 5-chloro-2,3-dihydro-1H-indole

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Computed Properties

IUPAC Name:	5-chloro-2,3-dihydro-1H-indole
Description:	5-Chloroindoline (CAS# 25658-80-4) is a useful research chemical.
Molecular Weight:	153.61
Molecular Formula:	C8H8ClN
Canonical SMILES:	C1CNC2=C1C=C(C=C2)Cl
InChI:	InChI=1S/C8H8ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2
InChI Key:	YMCIVAPEOZDEGH-UHFFFAOYSA-N
Boiling Point:	93-98 °C / 0.3 mmHg, 266.8 °C at 760 mmHg
Purity:	95 %
Density:	1.214 g/cm³
Appearance:	Light yellow to brown liquid
MDL:	MFCD01941330
LogP:	2.44600

Publication Number	Title	Priority Date
CN-111732528-A	A kind ofNProcess for preparing (E) -arylindoline derivatives	20200731
CN-111732528-B	Preparation method of N-aryl indoline derivative	20200731
WO-2021000935-A1	Hpk1 inhibitors and uses thereof	20190704
WO-2020257487-A1	Glycolate oxidase inhibitors for the treatment of disease	20190619
WO-2020223536-A1	Substituted cyclolakyls as modulators of the integrated stress pathway	20190430

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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:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.0345270
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	153.0345270
Rotatable Bond Count:	0
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9